N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G864-0081 |
Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
Molecular Weight: | 426.92 |
Molecular Formula: | C21 H19 Cl N4 O2 S |
Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.7498 |
logD: | 3.7498 |
logSw: | -3.951 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.197 |
InChI Key: | YIBDKIFOXPXKRH-UHFFFAOYSA-N |