8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
Compound ID: | G490-0258 |
Compound Name: | 8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
Molecular Weight: | 391.43 |
Molecular Formula: | C22 H21 N3 O4 |
Smiles: | Cc1cccc(c1)C1C(NC2(CCN(CC2)C(c2ccc3c(c2)OCO3)=O)N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.2653 |
logD: | 2.2644 |
logSw: | -2.9136 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.353 |
InChI Key: | VAZYGDBNHDAYBK-UHFFFAOYSA-N |