2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-ethylmorpholine-4-carboxamide
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-ethylmorpholine-4-carboxamide
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-ethylmorpholine-4-carboxamide
Compound characteristics
| Compound ID: | V028-5081 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-ethylmorpholine-4-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C21 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCOC(CN2CCCN(CC2)C(c2ccc3c(c2)OCO3)=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6688 |
| logD: | 0.6561 |
| logSw: | -1.9428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.592 |
| InChI Key: | PNCPMUWZLNJCMU-KRWDZBQOSA-N |