ChemSpider 2D Image | MFCD01652057 | C30H38N4O4

MFCD01652057

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID2729094

More details:

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

1,1'-(1,3-Phenylendi-2,2-propandiyl)bis[3-(4-methoxybenzyl)harnstoff] [German] [ACD/IUPAC Name]
1,1'-(1,3-Phenylenedi-2,2-propanediyl)bis[3-(4-methoxybenzyl)urea] [ACD/IUPAC Name]
1,1'-(1,3-Phénylènedi-2,2-propanediyl)bis[3-(4-méthoxybenzyl)urée] [French] [ACD/IUPAC Name]
1,1'-(1,3-Phenylenedipropane-2,2-diyl)bis[3-(4-methoxybenzyl)urea]
MFCD01652057
Urea, N,N''-[1,3-phenylenebis(1-methylethylidene)]bis[N'-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
1-(4-MEO-BZL)-3-(1-(3-(1-(3-(4-MEO-BZL)-UREIDO)-1-ME-ET)-PH)-1-ME-ETHYL)-UREA
1-[(4-METHOXYPHENYL)METHYL]-3-(2-{3-[2-({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}AMINO)PROPAN-2-YL]PHENYL}PROPAN-2-YL)UREA
1-[1-methyl-1-[3-[1-methyl-1-(p-anisylcarbamoylamino)ethyl]phenyl]ethyl]-3-p-anisyl-urea
305849-33-6 [RN]

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

MLS000402459 [DBID]
SMR000263697 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1369.74
ACD/KOC (pH 5.5): 6120.73
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1369.71
ACD/KOC (pH 7.4): 6120.62
Polar Surface Area: 101 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

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