Chemical ID: 7063131

CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)NC(=O)OC
Chemical ID:
7063131
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)NC(=O)OC
InChi [?]:
InChI=1/C20H23N3O4S/c1-22-11-10-14-4-3-5-15-12-23(13-18(22)19(14)15)28(25,26)17-8-6-16(7-9-17)21-20(24)27-2/h3-9,18H,10-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,28,7,6,8,20,22,19,23,4,3,14,12,5,9,21,18,11,10,25,24,2,13,26,16,17,27,15/E:(6,7)(8,9)(25,26)/CRV:28.6/rA:28cCNCCCCCCCCCCNCSOOCCCCCCNCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O4S
All Atoms:51
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:11.1131
Area:583.083
Solvation:-3.46394
Coulombic:-46.0781
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.48
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.74
LogP (Chemaxon):2.66

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Descriptor Annotations

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