[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0291 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C22 H25 N5 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4 |
| logD: | 2.3989 |
| logSw: | -2.6894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.949 |
| InChI Key: | JBQHXSAONLRCEC-FQEVSTJZSA-N |