6-bromo-3-{5-[(naphthalen-1-yl)amino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{5-[(naphthalen-1-yl)amino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
6-bromo-3-{5-[(naphthalen-1-yl)amino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2432-4282 |
| Compound Name: | 6-bromo-3-{5-[(naphthalen-1-yl)amino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 450.31 |
| Molecular Formula: | C21 H12 Br N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1nnc(Nc2cccc3ccccc23)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7258 |
| logD: | 5.7258 |
| logSw: | -7.1063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.376 |
| InChI Key: | DAQHNBSUHLVQFR-UHFFFAOYSA-N |