N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3167 |
| Compound Name: | N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(/C=C/c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0175 |
| logD: | 3.9276 |
| logSw: | -4.1735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.237 |
| InChI Key: | ASWGTBFNKRXEAQ-UHFFFAOYSA-N |