(3-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0366 |
| Compound Name: | (3-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C21 H26 Cl N5 O3 |
| Smiles: | Cc1c(c(C)[nH]n1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 2.6294 |
| logD: | -0.1373 |
| logSw: | -3.2367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.399 |
| InChI Key: | HXKIXSYJAVXLHO-UHFFFAOYSA-N |