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Chemical ID: 7142698
Chemical ID:
7142698
Name [?]:
5-[[5-(4-bromophenyl)-2-furyl]methylene]-3-butyl-2-butylimino-thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccc(cc3)Br)S1)CCCC
InChi [?]:
InChI=1/C22H25BrN2O2S/c1-3-5-13-24-22-25(14-6-4-2)21(26)20(28-22)15-18-11-12-19(27-18)16-7-9-17(23)10-8-16/h7-12,15H,3-6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,18,22,19,21,13,14,4,25,11,17,20,12,15,10,8,6,23,5,7,9,16,24/E:(7,8)(9,10)/rA:28nCCCCNCNCOCCCCCCOCCCCCCBrSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;s6s10;s7;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25BrN2O2S |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.3743 |
Area: | 661.925 |
Solvation: | -3.17377 |
Coulombic: | -32.4105 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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