Chemical ID: 4795937

CCOc1ccccc1C(=O)N(Cc2ccccc2)C3CCS(=O)(=O)C3
Chemical ID:
4795937
Name [?]:
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)N(Cc2ccccc2)C3CCS(=O)(=O)C3
InChi [?]:
InChI=1/C20H23NO4S/c1-2-25-19-11-7-6-10-18(19)20(22)21(14-16-8-4-3-5-9-16)17-12-13-26(23,24)15-17/h3-11,17H,2,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,7,6,15,19,8,5,21,22,13,26,14,20,9,4,10,12,11,24,25,3,23/E:(4,5)(8,9)(23,24)/CRV:26.6/rA:26cCCOCCCCCCCONCCCCCCCCCCSOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;s21;s22;d23;d23;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.08218
Area:531.212
Solvation:-5.19811
Coulombic:-27.751
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.467
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):1.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue