2-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
2-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | K231-0751 |
| Compound Name: | 2-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Smiles: | COc1ccc(c(c1)Nc1nnc(C2=Cc3c(ccc4ccccc34)OC2=O)s1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2365 |
| logD: | 5.2365 |
| logSw: | -6.178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.551 |
| InChI Key: | BJIGDSIXLLRVSG-UHFFFAOYSA-N |