N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2619 |
| Compound Name: | N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | C1CCC(CC1)c1nnc(NC(/C=C/c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7623 |
| logD: | 4.7024 |
| logSw: | -4.6937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.963 |
| InChI Key: | HREDOTBGXYDFQH-UHFFFAOYSA-N |