6-hexyl-7-hydroxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-hydroxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
6-hexyl-7-hydroxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1814-2011 |
| Compound Name: | 6-hexyl-7-hydroxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nnc(Nc2ccc(C)cc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.8833 |
| logD: | 6.8697 |
| logSw: | -5.3693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.894 |
| InChI Key: | DMCVYGRRQVUFJJ-UHFFFAOYSA-N |