N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-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-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C250-0595 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | C1CCCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7017 |
| logD: | 3.7016 |
| logSw: | -3.9196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.384 |
| InChI Key: | IJAZIJXQCWJPQD-UHFFFAOYSA-N |