2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C145-0158 |
| Compound Name: | 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | CCC1CCCCN1C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4655 |
| logD: | 4.4655 |
| logSw: | -4.1446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.157 |
| InChI Key: | BVTDLEQYCFOGGE-SFHVURJKSA-N |