Chemical ID: 6156386

Cc1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)NC(=O)C)SC2=O
Chemical ID:
6156386
Name [?]:
N-[4-[[2,4-dioxo-3-(p-tolylmethyl)thiazolidin-5-ylidene]methyl]phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)NC(=O)C)SC2=O
InChi [?]:
InChI=1/C20H18N2O3S/c1-13-3-5-16(6-4-13)12-22-19(24)18(26-20(22)25)11-15-7-9-17(10-8-15)21-14(2)23/h3-11H,12H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,15,19,16,18,13,8,2,21,14,5,17,12,10,25,20,9,22,11,26,24/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCNCOCCCCCCCCNCOCSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5737
Area:566.107
Solvation:-3.57894
Coulombic:-48.5005
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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