N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-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: | G864-0215 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1558 |
| logD: | 3.1556 |
| logSw: | -3.5517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.605 |
| InChI Key: | REPURDQBMIPRIV-UHFFFAOYSA-N |