Found 1 result

Search term: CN(c1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCN(C)CC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-(4-{Methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)-3-{3-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea | C32H36N8O4S

1-(4-{Methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)-3-{3-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea

  • Molecular FormulaC32H36N8O4S
  • Average mass628.744 Da
  • Monoisotopic mass628.257996 Da
  • ChemSpider ID35035997

More details:

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

1-(4-{Methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)-3-{3-[(4-methyl-1-piperazinyl)carbonyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-{Methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)-3-{3-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea [ACD/IUPAC Name]
1-(4-{Méthyl[2-({4-[(méthylsulfonyl)méthyl]phényl}amino)-4-pyrimidinyl]amino}phényl)-3-{3-[(4-méthyl-1-pipérazinyl)carbonyl]phényl}urée [French] [ACD/IUPAC Name]
1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
Urea, N-[4-[methyl[2-[[4-[(methylsulfonyl)methyl]phenyl]amino]-4-pyrimidinyl]amino]phenyl]-N'-[3-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- [ACD/Index Name]
1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea
GW8

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 17.17
ACD/KOC (pH 7.4): 241.68
Polar Surface Area: 148 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

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