Chemical ID: 7062960

c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2c4ccncc4
Chemical ID:
7062960
Name [?]:
2-phenylsulfonyl-1-(4-pyridyl)-3,4-dihydro-1H-isoquinoline
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2c4ccncc4
InChi [?]:
InChI=1/C20H18N2O2S/c23-25(24,18-7-2-1-3-8-18)22-15-12-16-6-4-5-9-19(16)20(22)17-10-13-21-14-11-17/h1-11,13-14,20H,12,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,14,3,5,17,21,25,12,22,24,11,13,20,4,18,19,23,10,8,9,7/E:(2,3)(7,8)(10,11)(13,14)(23,24)/CRV:25.6/rA:25cCCCCCCSOONCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.30445
Area:493.107
Solvation:-3.02323
Coulombic:-14.5185
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.435
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.47

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Descriptor Annotations

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