N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-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[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C250-0589 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(=NC2(CCCC2)N=1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2325 |
| logD: | 3.2325 |
| logSw: | -3.4302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.419 |
| InChI Key: | HUSWRZYJZGRIBF-UHFFFAOYSA-N |