2-methyl-1-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}propan-1-one
2-methyl-1-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | SA53-0551 |
| Compound Name: | 2-methyl-1-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 362.5 |
| Molecular Formula: | C17 H26 N6 O S |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)Cc1c(C)ncs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3089 |
| logD: | 0.8813 |
| logSw: | -2.1339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.26 |
| InChI Key: | AJIRETDPIOGRNP-AWEZNQCLSA-N |