N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
Compound characteristics
| Compound ID: | Y030-8863 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(C3c4ccccc4Oc4ccccc34)=O)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5471 |
| logD: | -2.4613 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.173 |
| InChI Key: | FQCLTTJPPGQFBF-UHFFFAOYSA-N |