N-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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: | G864-0236 |
| Compound Name: | N-[(4-methylphenyl)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: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4[nH]c3C(N2CC=C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5771 |
| logD: | 3.5771 |
| logSw: | -3.7492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.451 |
| InChI Key: | GTKXFMRKYZOAMN-UHFFFAOYSA-N |