N-(2,4-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1307 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4562 |
| logD: | 4.4562 |
| logSw: | -4.4097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.951 |
| InChI Key: | NDGPPACQSXPOOE-UHFFFAOYSA-N |