2-(adamantan-1-yl)-4-chloro-5-{[(3-methoxyphenyl)methyl]amino}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-{[(3-methoxyphenyl)methyl]amino}pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-{[(3-methoxyphenyl)methyl]amino}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1568 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-{[(3-methoxyphenyl)methyl]amino}pyridazin-3(2H)-one |
| Molecular Weight: | 399.92 |
| Molecular Formula: | C22 H26 Cl N3 O2 |
| Smiles: | COc1cccc(CNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)C3)C2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4668 |
| logD: | 4.4668 |
| logSw: | -4.6932 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.362 |
| InChI Key: | LQQVMDBYEZFTCF-UHFFFAOYSA-N |