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Chemical ID: 7142652
Chemical ID:
7142652
Name [?]:
5-[(3-bromophenyl)methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2cccc(c2)Br)S1)CC
InChi [?]:
InChI=1/C14H15BrN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,12,11,13,15,9,10,14,8,6,4,16,3,5,7,17/rA:19nCCNCNCOCCCCCCCCBrSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s4s8;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15BrN2OS |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3792 |
Area: | 483.355 |
Solvation: | -1.70466 |
Coulombic: | -25.7048 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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