N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C145-0476 |
| Compound Name: | N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C21 H15 N7 O4 S2 |
| Smiles: | Cc1nnc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)[N+]([O-])=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8008 |
| logD: | 2.7759 |
| logSw: | -3.3242 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113 |
| InChI Key: | SJJNZKKVPVWTIO-UHFFFAOYSA-N |