(3-{5-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0357 |
| Compound Name: | (3-{5-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 524.02 |
| Molecular Formula: | C27 H30 Cl N5 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 2.6959 |
| logD: | -0.0709 |
| logSw: | -3.4161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.261 |
| InChI Key: | UJIXUXPEAQWJNF-UHFFFAOYSA-N |