3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-5711 |
| Compound Name: | 3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 490.71 |
| Molecular Formula: | C26 H26 N4 S3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nc(CSc2nnc(c3cccs3)n2c2ccccc2)cs1 |
| Stereo: | ACHIRAL |
| logP: | 7.8563 |
| logD: | 7.8562 |
| logSw: | -6.3845 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.993 |
| InChI Key: | IBCJPTNSCSWPPB-UHFFFAOYSA-N |