2-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
2-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | 1814-2021 |
| Compound Name: | 2-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H12 F N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc3ccccc3c12)c1nnc(Nc2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3228 |
| logD: | 5.3228 |
| logSw: | -6.653 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.074 |
| InChI Key: | DMZHYEVWXXVAMU-UHFFFAOYSA-N |