2-methyl-1-{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
2-methyl-1-{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | SA53-0563 |
| Compound Name: | 2-methyl-1-{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C18 H26 N6 O |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6879 |
| logD: | 0.5456 |
| logSw: | -1.0437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.573 |
| InChI Key: | MPDJGFXRKWBYLU-INIZCTEOSA-N |