2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G856-0904 |
| Compound Name: | 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C27 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9274 |
| logD: | 3.9274 |
| logSw: | -4.0658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.431 |
| InChI Key: | JMTNZODNMCFDNY-UHFFFAOYSA-N |