Chemical ID: 5563649

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)OCc4ccc(cc4)Cl
Chemical ID:
5563649
Name [?]:
2-(2-chlorophenyl)imino-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H16Cl2N2O2S/c24-17-11-9-15(10-12-17)14-29-20-8-4-1-5-16(20)13-21-22(28)27-23(30-21)26-19-7-3-2-6-18(19)25/h1-13H,14H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,17,16,2,6,18,15,3,25,29,26,28,7,23,24,5,27,19,14,4,8,9,12,30,20,13,11,10,22,21/E:(9,10)(11,12)/rA:30nCCCCCCCCCONCNCCCCCCClSOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s4;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.7001
Area:680.059
Solvation:-3.30141
Coulombic:-39.9868
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:455.357
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.96
LogP (Chemaxon):6.91

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Descriptor Annotations

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