N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Compound characteristics
Compound ID: | V003-3128 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide |
Molecular Weight: | 521.61 |
Molecular Formula: | C29 H35 N3 O6 |
Smiles: | CC(C)CC(N1CCC2(CC1)N(C(CO2)C(NCc1ccc2c(c1)OCO2)=O)C(c1cccc(C)c1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.896 |
logD: | 2.896 |
logSw: | -3.2133 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.855 |
InChI Key: | PBFZTQRWVNHJLJ-QHCPKHFHSA-N |