N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3170 |
| Compound Name: | N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | COCc1nnc(NC(/C=C/c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.345 |
| logD: | 2.2512 |
| logSw: | -2.8546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.661 |
| InChI Key: | KBHQWCNOGLCCGJ-UHFFFAOYSA-N |