ethyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
Chemical Structure Depiction of
ethyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
ethyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 8020-4626 |
| Compound Name: | ethyl 3-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-2-cyanoprop-2-enoate |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C13 H12 N4 O2 S3 |
| Smiles: | CCOC(C(=C\c1cc(CSc2nnc(N)s2)cs1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5524 |
| logD: | 2.5524 |
| logSw: | -2.6401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.458 |
| InChI Key: | YODKDMTVUYXGFH-UHFFFAOYSA-N |