2-(adamantan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-4-chloropyridazin-3(2H)-one
2-(adamantan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1536 |
| Compound Name: | 2-(adamantan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCO2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6723 |
| logD: | 4.6721 |
| logSw: | -4.9927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.611 |
| InChI Key: | OKUOCPUOQMNGEV-UHFFFAOYSA-N |