Chemical ID: 4796261

CCc1ccc(cc1)CN(C2CCS(=O)(=O)C2)C(=O)c3ccccc3
Chemical ID:
4796261
Name [?]:
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]benzamide
SMILES [?]:
CCc1ccc(cc1)CN(C2CCS(=O)(=O)C2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C20H23NO3S/c1-2-16-8-10-17(11-9-16)14-21(19-12-13-25(23,24)15-19)20(22)18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,22,24,21,25,4,8,5,7,12,13,9,17,3,6,20,11,18,10,19,15,16,14/E:(4,5)(6,7)(8,9)(10,11)(23,24)/CRV:25.6/rA:25cCCCCCCCCCNCCCSOOCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;d14;s11s14;s10;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.77632
Area:559.856
Solvation:-4.22007
Coulombic:-20.9395
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.468
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):2.61

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Descriptor Annotations

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