4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0364 |
| Compound Name: | 4-(azepan-1-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine |
| Molecular Weight: | 444.99 |
| Molecular Formula: | C20 H25 Cl N8 S |
| Smiles: | CN(C)c1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0385 |
| logD: | 6.0363 |
| logSw: | -6.252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.864 |
| InChI Key: | NEGWWYMCQOTQNM-UHFFFAOYSA-N |