N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C250-0428 |
| Compound Name: | N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-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: | Cc1ccc(cc1)C1C(=NC2(CCCC2)N=1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0938 |
| logD: | 5.0937 |
| logSw: | -4.7375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.596 |
| InChI Key: | VNUIIADEYXOSRT-UHFFFAOYSA-N |