(3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C301-1773 |
| Compound Name: | (3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCCO2)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0568 |
| logD: | 0.29 |
| logSw: | -3.5031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.703 |
| InChI Key: | QGIQWKQZPHNJTQ-UHFFFAOYSA-N |