2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0810 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 383.85 |
| Molecular Formula: | C19 H14 Cl N3 O2 S |
| Smiles: | CN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4586 |
| logD: | 3.4586 |
| logSw: | -4.1545 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.013 |
| InChI Key: | ORZYYCUWKJDQSY-UHFFFAOYSA-N |