N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-(naphthalene-2-sulfonyl)propanamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-(naphthalene-2-sulfonyl)propanamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-(naphthalene-2-sulfonyl)propanamide
Compound characteristics
| Compound ID: | Y503-1121 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-(naphthalene-2-sulfonyl)propanamide |
| Molecular Weight: | 472.92 |
| Molecular Formula: | C22 H18 Cl F N4 O3 S |
| Smiles: | C(CS(c1ccc2ccccc2c1)(=O)=O)C(Nc1ncn(Cc2c(cccc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.599 |
| logD: | 3.5614 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.103 |
| InChI Key: | DCEWGUDAEMNNEZ-UHFFFAOYSA-N |