Chemical ID: 7209946

c1ccc(cc1)COc2ccccc2C=C3C(=O)NC(=Nc4ccc(cc4)C(=O)[O-])S3
Chemical ID:
7209946
Name [?]:
4-[5-[(2-benzyloxyphenyl)methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=C3C(=O)NC(=Nc4ccc(cc4)C(=O)[O-])S3
InChi [?]:
InChI=1/C24H18N2O4S/c27-22-21(31-24(26-22)25-19-12-10-17(11-13-19)23(28)29)14-18-8-4-5-9-20(18)30-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,28,29)(H,25,26,27)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,24,26,23,27,15,7,4,25,14,22,9,16,17,28,20,21,19,18,29,30,8,31/E:(2,3)(6,7)(10,11)(12,13)(28,29)/rA:31nCCCCCCCOCCCCCCCCCONCNCCCCCCCOO-S/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17N2O4S-
All Atoms:48
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:-28.3196
Area:662.108
Solvation:-44.8723
Coulombic:-39.5543
Bond Count [?]
All:34
Single:21
Double:13
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:429.469
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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