5-bromo-2-chloro-N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
5-bromo-2-chloro-N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
5-bromo-2-chloro-N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K400-03968 |
| Compound Name: | 5-bromo-2-chloro-N-[(5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 570.89 |
| Molecular Formula: | C25 H21 Br Cl N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2cc(ccc2[Cl])[Br])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5599 |
| logD: | 5.5591 |
| logSw: | -5.9027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.523 |
| InChI Key: | QPBNJENYOAFUBK-UHFFFAOYSA-N |