Chemical ID: 7063115

CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
Chemical ID:
7063115
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C19H20N2O3S/c1-13(22)20-16-6-8-17(9-7-16)25(23,24)21-12-11-15-4-2-3-14-5-10-18(21)19(14)15/h2-4,6-9,18H,5,10-12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,25,6,10,7,9,24,16,15,2,21,17,5,8,23,22,4,14,3,12,13,11/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25cCCONCCCCCCSOONCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;s14s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.54285
Area:512.376
Solvation:-3.26656
Coulombic:-27.2605
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.23
LogP (Chemaxon):2.71

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