N-(4-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0922 |
| Compound Name: | N-(4-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.97 |
| Molecular Formula: | C25 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.066 |
| logD: | 5.066 |
| logSw: | -5.1544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.267 |
| InChI Key: | JMUBHCMBFQNEDR-UHFFFAOYSA-N |