2-{5-[4-(4-chlorophenoxy)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-{5-[4-(4-chlorophenoxy)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
2-{5-[4-(4-chlorophenoxy)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | K231-0781 |
| Compound Name: | 2-{5-[4-(4-chlorophenoxy)anilino]-1,3,4-thiadiazol-2-yl}-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C27 H16 Cl N3 O3 S |
| Smiles: | C1=C(C(=O)Oc2ccc3ccccc3c12)c1nnc(Nc2ccc(cc2)Oc2ccc(cc2)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 7.6071 |
| logD: | 7.6071 |
| logSw: | -7.0238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.822 |
| InChI Key: | MZAXXVKOIYMXRG-UHFFFAOYSA-N |