2-(adamantan-1-yl)-4-chloro-5-{[(2,5-dimethoxyphenyl)methyl]amino}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-{[(2,5-dimethoxyphenyl)methyl]amino}pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-{[(2,5-dimethoxyphenyl)methyl]amino}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0044 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-{[(2,5-dimethoxyphenyl)methyl]amino}pyridazin-3(2H)-one |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C23 H28 Cl N3 O3 |
| Smiles: | COc1ccc(c(CNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)C3)C2)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5696 |
| logD: | 4.5696 |
| logSw: | -4.8126 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.992 |
| InChI Key: | BJSGJYJTNLFJQG-UHFFFAOYSA-N |