7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K677-0008 |
| Compound Name: | 7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C13 H10 N2 O3 S2 |
| Smiles: | Cc1nnc(SCC2=CC(=O)Oc3cc(ccc23)O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9098 |
| logD: | 1.8806 |
| logSw: | -2.7155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.663 |
| InChI Key: | RKPGVVVSHIUTSD-UHFFFAOYSA-N |