Chemical ID: 4083812

COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3
Chemical ID:
4083812
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3
InChi [?]:
InChI=1/C17H13NO3S2/c1-21-14-9-11(7-8-13(14)19)10-15-16(20)18(17(22)23-15)12-5-3-2-4-6-12/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,19,23,6,7,4,10,5,18,8,3,11,12,15,14,9,13,2,16,17/E:(3,4)(5,6)/rA:23nCOCCCCCCOCCCONCSSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.81625
Area:523.353
Solvation:-4.26757
Coulombic:-42.8116
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:343.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):3.95

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