Chemical ID: 4378842

c1cc(ccc1COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl)C(=O)O
Chemical ID:
4378842
Name [?]:
4-[[4-[[3-(4-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl)C(=O)O
InChi [?]:
InChI=1/C24H16ClNO5S/c25-18-7-9-19(10-8-18)26-22(27)21(32-24(26)30)13-15-3-11-20(12-4-15)31-14-16-1-5-17(6-2-16)23(28)29/h1-13H,14H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,11,13,2,4,25,27,24,28,10,14,15,7,12,6,3,26,23,9,16,17,30,20,29,19,18,31,32,21,8,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(28,29)/rA:32nCCCCCCCOCCCCCCCCCONCOSCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;d20;s16s20;s19;s23;d24;s25;d26;d23s27;s26;s3;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16ClNO5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4247
Area:695.858
Solvation:-4.97174
Coulombic:-64.899
Bond Count [?]
All:35
Single:22
Double:13
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:465.906
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.0
LogP (Chemaxon):5.31

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Descriptor Annotations

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