3-[5-chloro-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2154 |
| Compound Name: | 3-[5-chloro-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C23 H30 Cl N3 O3 |
| Smiles: | C1CCC(CCNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)(C3)C(O)=O)C2)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0989 |
| logD: | 1.8132 |
| logSw: | -4.2282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.26 |
| InChI Key: | VYUMNGISHXLUDJ-UHFFFAOYSA-N |