Chemical ID: 4841317

CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)O
Chemical ID:
4841317
Name [?]:
5-[(4-diethylaminophenyl)methylene]-3-(4-hydroxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)O
InChi [?]:
InChI=1/C20H20N2O2S2/c1-3-21(4-2)15-7-5-14(6-8-15)13-18-19(24)22(20(25)26-18)16-9-11-17(23)12-10-16/h5-13,23H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,10,7,11,21,25,22,24,12,9,6,20,23,13,14,17,3,16,26,15,18,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCNCCCCCCCCCCCONCSSCCCCCCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9132
Area:595.6
Solvation:-2.97675
Coulombic:-41.6614
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:384.517
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):5.15

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Descriptor Annotations

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