2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
Chemical Structure Depiction of
2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate
Compound characteristics
| Compound ID: | 8006-4598 |
| Compound Name: | 2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 3-(4-nitrophenyl)prop-2-enoate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C15 H14 N4 O5 S2 |
| Smiles: | CCSc1nnc(NC(COC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0322 |
| logD: | 4.0309 |
| logSw: | -4.0495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.938 |
| InChI Key: | TVYXOSGIRGNWMU-UHFFFAOYSA-N |