N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C250-0591 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCCCCC2)N=1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2301 |
| logD: | 4.2301 |
| logSw: | -4.2203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.384 |
| InChI Key: | AJTHEIFZILHINA-UHFFFAOYSA-N |