[3-(4-anilino-5-chloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
Chemical Structure Depiction of
[3-(4-anilino-5-chloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
[3-(4-anilino-5-chloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
Compound characteristics
| Compound ID: | C719-0204 |
| Compound Name: | [3-(4-anilino-5-chloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccccc1)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8925 |
| logD: | 1.1257 |
| logSw: | -4.1287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | ILZPHDJNNMINHR-UHFFFAOYSA-N |