N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G698-0127 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | C1CCC2(CC1)N=C(C(=N2)SCC(NCc1ccc2c(c1)OCO2)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.8595 |
| logD: | 3.8595 |
| logSw: | -3.8929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.686 |
| InChI Key: | QGRKTVQNMYPOLX-UHFFFAOYSA-N |