5-(3-acetylanilino)-2-(adamantan-1-yl)-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
5-(3-acetylanilino)-2-(adamantan-1-yl)-4-chloropyridazin-3(2H)-one
5-(3-acetylanilino)-2-(adamantan-1-yl)-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1550 |
| Compound Name: | 5-(3-acetylanilino)-2-(adamantan-1-yl)-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C22 H24 Cl N3 O2 |
| Smiles: | CC(c1cccc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5801 |
| logD: | 4.5801 |
| logSw: | -4.7776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.322 |
| InChI Key: | KORDWLXVIRVTOK-UHFFFAOYSA-N |