N-[(4-fluorophenyl)methyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1372 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1828 |
| logD: | 3.1828 |
| logSw: | -3.2853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.451 |
| InChI Key: | KBTRCPDUMROMSQ-UHFFFAOYSA-N |