Chemical ID: 7409868

COc1cc2c(cc1OC)CN(CC2)C(=O)c3cc(ccc3Cl)Cl
Chemical ID:
7409868
Name [?]:
(2,5-dichlorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C18H17Cl2NO3/c1-23-16-7-11-5-6-21(10-12(11)8-17(16)24-2)18(22)14-9-13(19)3-4-15(14)20/h3-4,7-9H,5-6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,21,14,13,4,7,18,11,5,6,19,17,22,3,8,15,24,23,12,16,2,9/rA:24nCOCCCCCCOCCNCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl2NO3
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.00068
Area:549.424
Solvation:-5.73493
Coulombic:-31.6478
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.238
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):3.48

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Descriptor Annotations

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