ChemSpider 2D Image | Amino(4-{5-[2-({2-[(butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}amino)-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl}phenyl)methaniminium | C21H30N5O6

Amino(4-{5-[2-({2-[(butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}amino)-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl}phenyl)methaniminium

  • Molecular FormulaC21H30N5O6
  • Average mass448.492 Da
  • Monoisotopic mass448.219055 Da
  • ChemSpider ID21218598

  • Charge - Charge

More details:

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

Amino(4-{5-[2-({2-[(butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}amino)-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl}phenyl)methaniminium [ACD/IUPAC Name]
Amino(4-{5-[2-({2-[(butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}amino)-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl}phenyl)methaniminium [German] [ACD/IUPAC Name]
Amino(4-{5-[2-({2-[(butoxycarbonyl)amino]-3-méthoxy-3-oxopropyl}amino)-2-oxoéthyl]-4,5-dihydro-1,2-oxazol-3-yl}phényl)méthaniminium [French] [ACD/IUPAC Name]
Benzenemethaniminium, α-amino-4-[5-[2-[[2-[(butoxycarbonyl)amino]-3-methoxy-3-oxopropyl]amino]-2-oxoethyl]-4,5-dihydro-3-isoxazolyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 167 Å2
Polarizability:
Surface Tension:
Molar Volume:

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