methyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
Chemical Structure Depiction of
methyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
methyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 8020-4625 |
| Compound Name: | methyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C12 H10 N4 O2 S3 |
| Smiles: | COC(C(=C\c1cc(CSc2nnc(N)s2)cs1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1645 |
| logD: | 2.1645 |
| logSw: | -2.2989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.878 |
| InChI Key: | MQJLPCMGULHXIX-UHFFFAOYSA-N |