(3-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
Compound ID: | C719-0348 |
Compound Name: | (3-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
Molecular Weight: | 407.94 |
Molecular Formula: | C21 H30 Cl N3 O3 |
Smiles: | CC(C)CCNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
Stereo: | ACHIRAL |
logP: | 3.8415 |
logD: | 1.0747 |
logSw: | -4.0047 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.315 |
InChI Key: | QERHGHPFRHBOOM-UHFFFAOYSA-N |