2-{[4-amino-5-(4-bromobenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-bromobenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[4-amino-5-(4-bromobenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0077 |
| Compound Name: | 2-{[4-amino-5-(4-bromobenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 470.32 |
| Molecular Formula: | C14 H12 Br N7 O3 S2 |
| Smiles: | C(C(Nc1nnc[nH]1)=O)Sc1ncc(c(N)n1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6501 |
| logD: | 0.6356 |
| logSw: | -2.3331 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 127.966 |
| InChI Key: | JNOALHUVQVOHNM-UHFFFAOYSA-N |