7-(2,3-dichlorobenzenesulfonyl)-N,N-dimethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 859231
• Molecular Formular: C15H16Cl2N4O2S
• Molecular Mass: 387.28414
• Monoisotopic Mass: 386.03710213
• SMILES: S(=O)(=O)(c1c(c(Cl)ccc1)Cl)N1Cc2c(c(ncn2)N(C)C)CC1
• Canonical SMILES: CN(c1ncnc2c1CCN(C2)S(=O)(=O)c1cccc(c1Cl)Cl)C
• InChI: InChI=1S/C15H16Cl2N4O2S/c1-20(2)15-10-6-7-21(8-12(10)18-9-19-15)24(22,23)13-5-3-4-11(16)14(13)17/h3-5,9H,6-8H2,1-2H3
• InChIKey: NVEOTGPQHBKGJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,3-dichlorobenzenesulfonyl)-N,N-dimethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: 7-(2,3-dichlorobenzenesulfonyl)-N,N-dimethyl-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: 7-[(2,3-dichlorophenyl)sulfonyl]-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8398428
• LogD (pH = 7.4): 2.859289
• Log P: 2.8595426
• Molar Refractivity: 96.4253 cm^3
• Polarizability: 36.925568 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.89
• LOG S: -4.49
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2