Chemical ID: 5798673

c1ccc(c(c1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4Cl)S3)Cl
Chemical ID:
5798673
Name [?]:
2-(2-chlorophenyl)imino-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4Cl)S3)Cl
InChi [?]:
InChI=1/C23H16Cl2N2O2S/c24-18-6-2-1-5-16(18)14-29-17-11-9-15(10-12-17)13-21-22(28)27-23(30-21)26-20-8-4-3-7-19(20)25/h1-13H,14H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,6,3,26,23,11,13,10,14,15,7,12,5,9,4,27,22,16,17,20,30,28,21,19,18,8,29/E:(9,10)(11,12)/rA:30nCCCCCCCOCCCCCCCCCONCNCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s27;s16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.7366
Area:671.32
Solvation:-3.04637
Coulombic:-40.074
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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