[2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1,4-diyl]bis(phenylmethanone)
Chemical Structure Depiction of
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1,4-diyl]bis(phenylmethanone)
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1,4-diyl]bis(phenylmethanone)
Compound characteristics
| Compound ID: | SA53-0923 |
| Compound Name: | [2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1,4-diyl]bis(phenylmethanone) |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8654 |
| logD: | 1.8647 |
| logSw: | -2.1804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.699 |
| InChI Key: | RTMCYIQDUAFQJS-IBGZPJMESA-N |