2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-phenylmorpholine-4-carboxamide
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-phenylmorpholine-4-carboxamide
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-phenylmorpholine-4-carboxamide
Compound characteristics
| Compound ID: | V015-1794 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-phenylmorpholine-4-carboxamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C25 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc2c(c1)OCO2)=O)CC1CN(CCO1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8505 |
| logD: | 1.8207 |
| logSw: | -2.4085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.372 |
| InChI Key: | KHKXSPNDTDAAPT-NRFANRHFSA-N |