{3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0330 |
| Compound Name: | {3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C23 H30 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)N1CCC2(CC1)OCCO2)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6884 |
| logD: | -0.0783 |
| logSw: | -3.0393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.5 |
| InChI Key: | MYDQNQVGQTWGNX-UHFFFAOYSA-N |