Found 21 results

Search term: MF = 'C_{33}H_{39}N_{3}O_{8}S'
ChemSpider 2D Image | (2S)-3-(2',6'-Dimethoxy-4-biphenylyl)-2-[(Z)-{[(1,2-dioxepan-5-ylmethyl)amino][(2S)-1-(phenylsulfonyl)-2-azetidinyl]methylene}amino]propanoic acid | C33H39N3O8S

(2S)-3-(2',6'-Dimethoxy-4-biphenylyl)-2-[(Z)-{[(1,2-dioxepan-5-ylmethyl)amino][(2S)-1-(phenylsulfonyl)-2-azetidinyl]methylene}amino]propanoic acid

  • Molecular FormulaC33H39N3O8S
  • Average mass637.743 Da
  • Monoisotopic mass637.245789 Da
  • ChemSpider ID23166723

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-(2',6'-Dimethoxy-4-biphenylyl)-2-[(Z)-{[(1,2-dioxepan-5-ylmethyl)amino][(2S)-1-(phenylsulfonyl)-2-azetidinyl]methylen}amino]propansäure [German] [ACD/IUPAC Name]
(2S)-3-(2',6'-Dimethoxy-4-biphenylyl)-2-[(Z)-{[(1,2-dioxepan-5-ylmethyl)amino][(2S)-1-(phenylsulfonyl)-2-azetidinyl]methylene}amino]propanoic acid [ACD/IUPAC Name]
(2S)-3-(2',6'-dimethoxybiphenyl-4-yl)-2-({(Z)-[(1,2-dioxepan-5-ylmethyl)amino][(2S)-1-(phenylsulfonyl)azetidin-2-yl]methylidene}amino)propanoic acid (non-preferred name)
Acide (2S)-3-(2',6'-diméthoxy-4-biphénylyl)-2-[(Z)-{[(1,2-dioxépan-5-ylméthyl)amino][(2S)-1-(phénylsulfonyl)-2-azétidinyl]méthylène}amino]propanoïque [French] [ACD/IUPAC Name]
(S)-2-[((S)-1-Benzenesulfonyl-N-[1,2]dioxepan-5-ylmethyl-azetidine-2-carboximidoyl)-amino]-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid
CHEMBL74507

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 765.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.4±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 168.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 16.94
ACD/KOC (pH 5.5): 51.39
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 16.92
ACD/KOC (pH 7.4): 51.32
Polar Surface Area: 144 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 479.4±7.0 cm3

Click to predict properties on the Chemicalize site


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