1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl 3-(4-nitrophenyl)prop-2-enoate
Chemical Structure Depiction of
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl 3-(4-nitrophenyl)prop-2-enoate
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl 3-(4-nitrophenyl)prop-2-enoate
Compound characteristics
| Compound ID: | 8009-1547 |
| Compound Name: | 1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl 3-(4-nitrophenyl)prop-2-enoate |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C16 H16 N4 O5 S |
| Smiles: | CCC(C(Nc1nnc(C)s1)=O)OC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2339 |
| logD: | 3.1528 |
| logSw: | -3.4807 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.77 |
| InChI Key: | IFRUEEYHPUMHFS-PPGNKHEKSA-N |