ethyl 2-{2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L880-0266 |
| Compound Name: | ethyl 2-{2-[(8-methoxy-3,5-dimethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1C)=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.272 |
| logD: | 3.2637 |
| logSw: | -3.631 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.228 |
| InChI Key: | VWMHSKHKFOQHJB-UHFFFAOYSA-N |