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Chemical ID: 7409868
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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