N-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-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: | G864-0213 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8414 |
| logD: | 3.8414 |
| logSw: | -4.0307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.252 |
| InChI Key: | YAZHLJPXEVRPEC-UHFFFAOYSA-N |