N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzamide
Chemical Structure Depiction of
N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzamide
N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | K400-02007 |
| Compound Name: | N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzamide |
| Molecular Weight: | 569.95 |
| Molecular Formula: | C27 H26 Br Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCc1nnc(n1c1cccc(c1)[Cl])SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1555 |
| logD: | 7.1555 |
| logSw: | -6.3637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.374 |
| InChI Key: | NPJPONFMRTWQIR-UHFFFAOYSA-N |