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Chemical ID: 6467934
Chemical ID:
6467934
Name [?]:
2-(4-bromophenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2O3S/c1-22-18(23)17(10-12-4-9-15(24-2)11-16(12)25-3)26-19(22)21-14-7-5-13(20)6-8-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,8,22,24,21,25,9,6,11,7,23,20,10,12,5,3,18,26,19,2,4,15,13,17/E:(5,6)(7,8)/rA:26nCNCOCCCCCCCCOCOCSCNCCCCCCBr/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2571 |
Area: | 571.557 |
Solvation: | -4.03187 |
Coulombic: | -39.4469 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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