Chemical ID: 4846048

CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccc4ccccc4c3
Chemical ID:
4846048
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-(2-naphthyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H17NO3S2/c1-2-26-19-11-14(7-10-18(19)24)12-20-21(25)23(22(27)28-20)17-9-8-15-5-3-4-6-16(15)13-17/h3-13,24H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,25,23,26,7,21,20,8,5,11,28,6,22,27,19,9,4,12,13,16,15,10,14,3,17,18/rA:28nCCOCCCCCCOCCCONCSSCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NO3S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8126
Area:608.292
Solvation:-4.39472
Coulombic:-43.6547
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:407.507
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):5.3

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