N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzoyl-8-(3,4-dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzoyl-8-(3,4-dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzoyl-8-(3,4-dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Compound characteristics
| Compound ID: | V028-0727 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzoyl-8-(3,4-dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide |
| Molecular Weight: | 596.47 |
| Molecular Formula: | C30 H27 Cl2 N3 O6 |
| Smiles: | C1CN(CCC12N(C(CO2)C(NCc1ccc2c(c1)OCO2)=O)C(c1ccccc1)=O)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7428 |
| logD: | 3.7428 |
| logSw: | -4.37 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.111 |
| InChI Key: | YLXABUZYTVOYKA-XMMPIXPASA-N |