2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-1268 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C26 H21 Cl N4 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[Cl])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3261 |
| logD: | 4.3259 |
| logSw: | -4.7098 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.743 |
| InChI Key: | HLFLRTKTRXRNDU-UHFFFAOYSA-N |