2-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
2-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | 2432-4300 |
| Compound Name: | 2-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 439.41 |
| Molecular Formula: | C22 H12 F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc3ccccc3c12)c1nnc(Nc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.3369 |
| logD: | 6.3369 |
| logSw: | -7.3386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.074 |
| InChI Key: | VHTNEISNVYDWAC-UHFFFAOYSA-N |