2-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
2-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | K231-0775 |
| Compound Name: | 2-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 473.86 |
| Molecular Formula: | C22 H11 Cl F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc3ccccc3c12)c1nnc(Nc2cc(ccc2[Cl])C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.7781 |
| logD: | 6.7781 |
| logSw: | -6.8817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.376 |
| InChI Key: | NAYUEFUBGBDYAW-UHFFFAOYSA-N |