Found 99 results

Search term: MF = 'C_{29}H_{31}N_{7}O_{4}S'
ChemSpider 2D Image | (2S,6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-10-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-15-oxa-4,7,10-triazatricyclo[14.3.1.0~2,6~]icosa-1(20),16,18-trien-8-one | C29H31N7O4S

(2S,6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-10-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-15-oxa-4,7,10-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-8-one

  • Molecular FormulaC29H31N7O4S
  • Average mass573.666 Da
  • Monoisotopic mass573.215820 Da
  • ChemSpider ID114823599

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-10-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-15-oxa-4,7,10-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-8-on [German] [ACD/IUPAC Name]
(2S,6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-10-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-15-oxa-4,7,10-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-8-one [ACD/IUPAC Name]
(2S,6R)-4-[(2,4-Diméthyl-1,3-thiazol-5-yl)carbonyl]-10-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-15-oxa-4,7,10-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trién-8-one [French] [ACD/IUPAC Name]
2H-14,10-Methenopyrrolo[3,4-j][1,6,9]oxadiazacyclohexadecin-2-one, 16-[(2,4-dimethyl-5-thiazolyl)carbonyl]-1,3,4,5,6,7,8,14a,15,16,17,17a-dodecahydro-4-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-, (14aS,1 7aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 85.36
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.55
ACD/KOC (pH 7.4): 86.13
Polar Surface Area: 150 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement