Chemical ID: 6845782

C=CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)[O-]
Chemical ID:
6845782
Name [?]:
4-(3-allyl-5-benzylidene-4-oxo-thiazolidin-2-ylidene)aminobenzoate
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)[O-]
InChi [?]:
InChI=1/C20H16N2O3S/c1-2-12-22-18(23)17(13-14-6-4-3-5-7-14)26-20(22)21-16-10-8-15(9-11-16)19(24)25/h2-11,13H,1,12H2,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,14,20,22,19,23,3,8,9,21,18,7,5,24,16,17,4,6,25,26,15/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:26nCCCNCOCCCCCCCCSCNCCCCCCCOO-/rB:d1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;s4s15;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N2O3S-
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-29.038
Area:555.51
Solvation:-42.9258
Coulombic:-29.2014
Bond Count [?]
All:28
Single:17
Double:11
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:363.411
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):4.75

Name Annotations

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Descriptor Annotations

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