2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C145-0495 |
| Compound Name: | 2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | C(CNC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4296 |
| logD: | 3.4296 |
| logSw: | -3.9008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.812 |
| InChI Key: | CHJWZUKWIQBVOA-UHFFFAOYSA-N |