6-chloro-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
6-chloro-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1310 |
| Compound Name: | 6-chloro-4-oxo-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 379.84 |
| Molecular Formula: | C15 H10 Cl N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5468 |
| logD: | 4.455 |
| logSw: | -4.7655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | HIXMYHKMCBCPKN-UHFFFAOYSA-N |