Chemical ID: 7183665

CC(C)Oc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)C(=O)[O-])S2
Chemical ID:
7183665
Name [?]:
4-[5-[(2-isopropoxyphenyl)methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CC(C)Oc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)C(=O)[O-])S2
InChi [?]:
InChI=1/C20H18N2O4S/c1-12(2)26-16-6-4-3-5-14(16)11-17-18(23)22-20(27-17)21-15-9-7-13(8-10-15)19(24)25/h3-12H,1-2H3,(H,24,25)(H,21,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,20,22,19,23,11,2,21,10,18,5,12,13,24,16,17,15,14,25,26,4,27/E:(1,2)(7,8)(9,10)(24,25)/rA:27nCCCOCCCCCCCCCONCNCCCCCCCOO-S/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N2O4S-
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-29.5108
Area:589.501
Solvation:-44.2484
Coulombic:-37.9169
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:381.426
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.02
LogP (Chemaxon):4.24

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Descriptor Annotations

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