[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(3-phenylpropyl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(3-phenylpropyl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(3-phenylpropyl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1018 |
| Compound Name: | [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(3-phenylpropyl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C23 H28 N6 O |
| Smiles: | Cc1nc(C2CN(CCCc3ccccc3)CCCN2C(c2ccncc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1592 |
| logD: | 1.8447 |
| logSw: | -2.1766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.19 |
| InChI Key: | BZUABFRPBFEILC-NRFANRHFSA-N |