ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G864-0223 |
| Compound Name: | ethyl 2-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7407 |
| logD: | 3.7323 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.184 |
| InChI Key: | JXMOFSMMEJHYRG-UHFFFAOYSA-N |