[4-cyclopentyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Chemical Structure Depiction of
[4-cyclopentyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
[4-cyclopentyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0952 |
| Compound Name: | [4-cyclopentyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](phenyl)methanone |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C2CCCC2)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1528 |
| logD: | 1.3933 |
| logSw: | -2.4318 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.702 |
| InChI Key: | PXHYETTYTNJMJK-SFHVURJKSA-N |