N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y032-2488 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 373.82 |
| Molecular Formula: | C17 H12 Cl N3 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2536 |
| logD: | 4.2024 |
| logSw: | -4.6473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.214 |
| InChI Key: | YUXWNNWLWWXRNW-UHFFFAOYSA-N |