Chemical ID: 4017382

COc1cc2c(cc1OC)CN(CC2)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
4017382
Name [?]:
N,N-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H19ClN2O3/c1-23-16-9-12-7-8-21(11-13(12)10-17(16)24-2)18(22)20-15-5-3-14(19)4-6-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,20,22,19,23,14,13,4,7,11,5,6,21,18,3,8,15,24,17,12,16,2,9/E:(3,4)(5,6)/rA:24nCOCCCCCCOCCNCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.05488
Area:545.141
Solvation:-5.57365
Coulombic:-44.4306
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.808
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):3.36

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