2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C250-0322 |
| Compound Name: | 2-{[3-(4-bromophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C21 H19 Br F N3 O S |
| Smiles: | C1CCC2(C1)N=C(C(=N2)SCC(Nc1ccc(cc1)F)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6995 |
| logD: | 4.6994 |
| logSw: | -4.6978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.596 |
| InChI Key: | XJPCDROEZOEFKR-UHFFFAOYSA-N |