6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D538-0173 |
| Compound Name: | 6-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C15 H12 Cl N3 O3 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(c(C)cc2O1)[Cl])=O)=O)c1nnc(SCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3262 |
| logD: | 5.1722 |
| logSw: | -5.93 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | KSGRSXUVIFFVCE-UHFFFAOYSA-N |