Structure

InChI Key HTIQEAQVCYTUBX-KRWDZBQOSA-N
Smile CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl
InChI
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25ClN2O5
Molecular Weight 408.88
AlogP 2.27
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 53796
ChEMBL CHEMBL2111097
DrugBank DB09237
DrugCentral 4099
FDA SRS 0P6NLP6806
PDB 6UB
PubChem 9822750
SureChEMBL SCHEMBL41283
ZINC ZINC000100001964