3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2158 |
| Compound Name: | 3-{5-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCCO2)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0366 |
| logD: | 0.751 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.727 |
| InChI Key: | RRCXMBPBWLMHDL-UHFFFAOYSA-N |