N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
Compound ID: | 8015-6638 |
Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
Molecular Weight: | 402.43 |
Molecular Formula: | C17 H18 N6 O4 S |
Smiles: | COc1ccc(Cc2nnc(NC(CCCn3cc(cn3)[N+]([O-])=O)=O)s2)cc1 |
Stereo: | ACHIRAL |
logP: | 1.6873 |
logD: | 1.6273 |
logSw: | -2.3009 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 102.566 |
InChI Key: | QJSFGEJGKDGLNI-UHFFFAOYSA-N |