N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V014-6396 |
| Compound Name: | N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C22 H24 N6 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)OC)s1)=O)NC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8805 |
| logD: | 4.8802 |
| logSw: | -4.5034 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.777 |
| InChI Key: | MBLLHTIBMZESMT-UHFFFAOYSA-N |