(3-{5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0271 |
| Compound Name: | (3-{5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 501 |
| Molecular Formula: | C26 H30 Cl F N4 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)N1CCN(CC1)c1ccc(cc1)F)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4118 |
| logD: | 1.6451 |
| logSw: | -4.3953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.324 |
| InChI Key: | XAIAIDSANCEPBZ-UHFFFAOYSA-N |