N-(4-bromo-3-methylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
N-(4-bromo-3-methylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C250-0238 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 456.4 |
| Molecular Formula: | C22 H22 Br N3 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(CSC1C(c2ccccc2)=NC2(CCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.906 |
| logD: | 4.906 |
| logSw: | -4.5301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.596 |
| InChI Key: | OXFKZXQCKPZUPX-UHFFFAOYSA-N |