N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G864-0076 |
Compound Name: | N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
Molecular Weight: | 412.9 |
Molecular Formula: | C20 H17 Cl N4 O2 S |
Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.8812 |
logD: | 3.8811 |
logSw: | -4.3426 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.875 |
InChI Key: | BADTXIUSECNGFY-UHFFFAOYSA-N |