2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | 2203-2828 |
| Compound Name: | 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C22 H15 N3 O3 S |
| Smiles: | COc1ccc(cc1)Nc1nnc(C2=Cc3c(ccc4ccccc34)OC2=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2761 |
| logD: | 5.2761 |
| logSw: | -6.238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.618 |
| InChI Key: | YSDGPJCZDZWHJW-UHFFFAOYSA-N |