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Chemical ID: 7140155
Chemical ID:
7140155
Name [?]:
2-(3,4-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)OC
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-12-4-6-15(25-2)10(7-12)8-16-17(23)22-18(26-16)21-11-3-5-13(19)14(20)9-11/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,17,4,18,5,8,9,21,7,16,3,19,20,6,10,11,14,23,22,15,13,12,2,25,24/rA:26nCOCCCCCCCCCONCNCCCCCCClClSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.476 |
Area: | 597.459 |
Solvation: | -4.4605 |
Coulombic: | -43.1981 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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