2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G856-1302 |
| Compound Name: | 2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C24 H17 N5 O4 S |
| Smiles: | C(C(Nc1ccccc1)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7819 |
| logD: | 3.7819 |
| logSw: | -4.3275 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.649 |
| InChI Key: | STHVXMBITLZWSQ-UHFFFAOYSA-N |