N-(4-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1021 |
Compound Name: | N-(4-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
Molecular Weight: | 490.97 |
Molecular Formula: | C25 H19 Cl N4 O3 S |
Smiles: | COc1cccc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.8065 |
logD: | 4.8065 |
logSw: | -4.9441 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.811 |
InChI Key: | SMWPLNIGKYLSRO-UHFFFAOYSA-N |