N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
Compound characteristics
| Compound ID: | Y030-8862 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C23 H16 Cl N3 O3 S |
| Smiles: | C(c1nnc(NC(C2c3ccccc3Oc3ccccc23)=O)s1)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3344 |
| logD: | -1.674 |
| logSw: | -6.0349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.411 |
| InChI Key: | RHFHSCZHOSQPHS-UHFFFAOYSA-N |