Chemical ID: 7386147

Cc1cc(c(c(c1)C)S(=O)(=O)N2CCc3cc(c(cc3C2)OC)OC)C
Chemical ID:
7386147
Name [?]:
6,7-dimethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)N2CCc3cc(c(cc3C2)OC)OC)C
InChi [?]:
InChI=1/C20H25NO4S/c1-13-8-14(2)20(15(3)9-13)26(22,23)21-7-6-16-10-18(24-4)19(25-5)11-17(16)12-21/h8-11H,6-7,12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,26,25,23,14,13,7,3,16,19,21,2,6,4,15,20,17,18,5,12,10,11,24,22,9/E:(2,3)(8,9)(14,15)(22,23)/CRV:26.6/rA:26cCCCCCCCCSOONCCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s17;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO4S
All Atoms:51
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.10317
Area:541.803
Solvation:-5.4419
Coulombic:-22.053
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.483
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):3.83

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Descriptor Annotations

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