N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
Compound characteristics
Compound ID: | V005-0051 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide |
Molecular Weight: | 571.59 |
Molecular Formula: | C30 H29 N5 O7 |
Smiles: | C1CN(CCC12C(N(CC(NCc1ccc3c(c1)OCO3)=O)CN2c1ccccc1)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2878 |
logD: | 3.2878 |
logSw: | -3.5825 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 111.873 |
InChI Key: | QYHDUVGFJKDEPO-UHFFFAOYSA-N |