N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2881 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6635 |
| logD: | 4.6009 |
| logSw: | -4.4187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.538 |
| InChI Key: | KEDMULFCZDYHIP-UHFFFAOYSA-N |