N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-nitro-1H-pyrazol-1-yl)propanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | 8015-6916 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C16 H16 N6 O4 S |
| Smiles: | CC(C(Nc1nnc(Cc2ccc(cc2)OC)s1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2131 |
| logD: | 2.1869 |
| logSw: | -2.7042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.605 |
| InChI Key: | ZSJXMPNEFPPVCT-JTQLQIEISA-N |