N-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
N-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G864-0180 |
| Compound Name: | N-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CN(C(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9141 |
| logD: | 2.9141 |
| logSw: | -3.3148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.092 |
| InChI Key: | SKHPBUWDFUFOPG-UHFFFAOYSA-N |