N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3164 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C18 H13 Cl N4 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(NC(/C=C/c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7879 |
| logD: | 4.7658 |
| logSw: | -5.1377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.965 |
| InChI Key: | VFVWRAXFQSRVJD-UHFFFAOYSA-N |