N-[5-({[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]propanamide

• ChemBase ID: 821327
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: n1c(c(sc1C)CNC(=O)Nc1cc(NC(=O)CC)c(cc1)OC)CC
• Canonical SMILES: CCC(=O)Nc1cc(ccc1OC)NC(=O)NCc1sc(nc1CC)C
• InChI: InChI=1S/C18H24N4O3S/c1-5-13-16(26-11(3)20-13)10-19-18(24)21-12-7-8-15(25-4)14(9-12)22-17(23)6-2/h7-9H,5-6,10H2,1-4H3,(H,22,23)(H2,19,21,24)
• InChIKey: AZDRGRVSXNPKQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-({[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]propanamide
• IUPAC Traditional name: N-[5-({[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl}amino)-2-methoxyphenyl]propanamide
• Synonyms: N-{5-[({[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]amino}carbonyl)amino]-2-methoxyphenyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.317612
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.3509724
• LogD (pH = 7.4): 2.3523154
• Log P: 2.3523378
• Molar Refractivity: 103.7117 cm^3
• Polarizability: 38.361103 Å^3
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.33
• LOG S: -3.94
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 7