Chemical ID: 7062974

Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C3c4ccccc4CCN3C)C
Chemical ID:
7062974
Name [?]:
2-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C3c4ccccc4CCN3C)C
InChi [?]:
InChI=1/C24H32N2O2S/c1-17-15-18(2)24(19(3)16-17)29(27,28)26-13-10-21(11-14-26)23-22-8-6-5-7-20(22)9-12-25(23)4/h5-8,15-16,21,23H,9-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,29,28,22,21,23,20,25,14,16,26,13,17,7,3,2,6,4,24,15,19,18,5,27,12,10,11,9/E:(2,3)(10,11)(13,14)(15,16)(18,19)(27,28)/CRV:29.6/rA:29cCCCCCCCCSOONCCCCCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s24;s25;s18s26;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O2S
All Atoms:61
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:12.376
Area:592.69
Solvation:-2.44123
Coulombic:-14.6674
Bond Count [?]
All:32
Single:24
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:412.589
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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