2-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
2-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | K231-0756 |
| Compound Name: | 2-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 435.89 |
| Molecular Formula: | C22 H14 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1Nc1nnc(C2=Cc3c(ccc4ccccc34)OC2=O)s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.806 |
| logD: | 5.806 |
| logSw: | -6.4735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.007 |
| InChI Key: | ZDFCFYNKDNNQGC-UHFFFAOYSA-N |