2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-1374 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C18 H15 N5 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6383 |
| logD: | 2.638 |
| logSw: | -3.0744 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.607 |
| InChI Key: | ATVYEDMKKRCAOT-UHFFFAOYSA-N |