2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(thiophene-2-carbonyl)-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-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA53-0545 |
| Compound Name: | 2-methyl-1-[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C17 H23 N5 O2 S |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6381 |
| logD: | 1.6374 |
| logSw: | -2.3388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.989 |
| InChI Key: | BKLKHWPWUUWZBD-ZDUSSCGKSA-N |