Chemical ID: 4469421

Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC4CCCCC4
Chemical ID:
4469421
Name [?]:
N-cyclohexyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C23H28N2O3S/c1-17-11-13-21(14-12-17)29(27,28)25-16-19-8-6-5-7-18(19)15-22(25)23(26)24-20-9-3-2-4-10-20/h5-8,11-14,20,22H,2-4,9-10,15-16H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,16,15,17,14,25,29,3,7,4,6,19,12,2,18,13,24,5,20,21,23,11,22,9,10,8/E:(3,4)(9,10)(11,12)(13,14)(27,28)/CRV:29.6/rA:29cCCCCCCCSOONCCCCCCCCCCONCCCCCC/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;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:12.0311
Area:591.7
Solvation:-2.7614
Coulombic:-31.7999
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.546
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.21
LogP (Chemaxon):4.1

Name Annotations

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Descriptor Annotations

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