3-(prop-2-en-1-yl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(prop-2-en-1-yl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(prop-2-en-1-yl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1381 |
| Compound Name: | 3-(prop-2-en-1-yl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0013 |
| logD: | 3.001 |
| logSw: | -3.2294 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.522 |
| InChI Key: | CXDFGCDSDWYBPS-UHFFFAOYSA-N |