N-(2H-1,3-benzodioxol-5-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C916-0739 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCN(C)CC2)N=1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0678 |
| logD: | 0.579 |
| logSw: | -3.377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.822 |
| InChI Key: | JKGMEHKDBRJJAE-UHFFFAOYSA-N |