1-(6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}pyridazin-3-yl)-N-(propan-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}pyridazin-3-yl)-N-(propan-2-yl)piperidine-4-carboxamide
1-(6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}pyridazin-3-yl)-N-(propan-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L381-0907 |
| Compound Name: | 1-(6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}pyridazin-3-yl)-N-(propan-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 492.44 |
| Molecular Formula: | C21 H26 Br N5 O2 S |
| Smiles: | CC(C)NC(C1CCN(CC1)c1ccc(nn1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5627 |
| logD: | 3.5625 |
| logSw: | -3.6354 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.795 |
| InChI Key: | XONLTSYMQQSIIL-UHFFFAOYSA-N |