6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D491-2915 |
Compound Name: | 6-chloro-N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
Molecular Weight: | 475.41 |
Molecular Formula: | C25 H27 Cl N2 O3 |
Salt: | HCl |
Smiles: | [H]N(CC(c1ccc(CC)cc1)N1CCCC1)C(C1=CC(c2cc(c(C)cc2O1)[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7572 |
logD: | 4.3968 |
logSw: | -6.0171 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.826 |
InChI Key: | QSJVFARSEGXQGX-NRFANRHFSA-N |