N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C916-0729 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8672 |
| logD: | 0.225 |
| logSw: | -3.2832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.59 |
| InChI Key: | JONGTTGXCYGGBM-UHFFFAOYSA-N |