Chemical ID: 6584803

Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC(C)C
Chemical ID:
6584803
Name [?]:
N-isopropyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC(C)C
InChi [?]:
InChI=1/C20H24N2O3S/c1-14(2)21-20(23)19-12-16-6-4-5-7-17(16)13-22(19)26(24,25)18-10-8-15(3)9-11-18/h4-11,14,19H,12-13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:25,26,1,16,15,17,14,3,7,4,6,19,12,24,2,18,13,5,20,21,23,11,22,9,10,8/E:(1,2)(8,9)(10,11)(24,25)/CRV:26.6/rA:26cCCCCCCCSOONCCCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;s20;d21;s21;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.7477
Area:543.503
Solvation:-2.83991
Coulombic:-30.8736
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.482
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):3.27

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Descriptor Annotations

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