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Chemical ID: 5563649
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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