4-bromo-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
4-bromo-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Compound characteristics
| Compound ID: | G193-0285 |
| Compound Name: | 4-bromo-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide |
| Molecular Weight: | 483.39 |
| Molecular Formula: | C21 H19 Br N6 O S |
| Smiles: | CC(C)c1ccc(cc1)n1c(C)c(c2nc(NC(c3ccc(cc3)[Br])=O)sn2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.7033 |
| logD: | 5.6685 |
| logSw: | -5.5047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | HHMDJIWKYBMDPD-UHFFFAOYSA-N |