N-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-1078 |
Compound Name: | N-(3-chlorophenyl)-2-{[3-(4-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: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.7839 |
logD: | 4.7838 |
logSw: | -4.8833 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.811 |
InChI Key: | BHICEWBXVYHBCP-UHFFFAOYSA-N |