(3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0224 |
| Compound Name: | (3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCO2)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9173 |
| logD: | 1.1506 |
| logSw: | -4.24 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.995 |
| InChI Key: | JQRXHQDSRHDJNG-UHFFFAOYSA-N |