A7T

(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide



Chemical Component Summary

Name(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Identifiers(1S,5R)-N-cyclopropyl-7-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-7-ene-8-carboxamide
FormulaC35 H39 Cl2 N3 O3
Molecular Weight620.608
TypeNON-POLYMER
Isomeric SMILESCc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl
InChIInChI=1S/C35H39Cl2N3O3/c1-21-15-30(36)34(31(37)16-21)43-14-13-42-28-11-7-24(8-12-28)29-17-26-18-38-19-32(39-26)33(29)35(41)40(27-9-10-27)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,15-16,26-27,32,38-39H,9-10,13-14,17-20H2,1-3H3/t26-,32-/m1/s1
InChIKeyVKBBVOVNGWGZCA-HVIPQOSHSA-N

Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count2
Bond Count87
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL1230745
PubChem 11578126
ChEMBL CHEMBL1230745