(3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C301-1776 |
| Compound Name: | (3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | COC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1749 |
| logD: | 1.4082 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.053 |
| InChI Key: | JJFTVSFXBGTUGH-UHFFFAOYSA-N |