N-(3-bromophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-bromophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0116 |
| Compound Name: | N-(3-bromophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C16 H13 Br N4 O S |
| Smiles: | C(C(Nc1cccc(c1)[Br])=O)Sc1nnc(c2ccccc2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.5637 |
| logD: | 2.372 |
| logSw: | -3.7839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.623 |
| InChI Key: | XQNVPVDNHVRQPD-UHFFFAOYSA-N |