3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8018-0704 |
| Compound Name: | 3-({[2-(adamantan-1-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C24 H25 N5 S2 |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCc1csc(C23CC4CC(CC(C4)C3)C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4714 |
| logD: | 6.4695 |
| logSw: | -6.2357 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.051 |
| InChI Key: | VSOWEBHAKNYTCD-UHFFFAOYSA-N |