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Chemical ID: 4610713
Chemical ID:
4610713
Name [?]:
6-bromo-2-(5-ethyl-2-thienyl)-quinoline-4-carbohydrazide
SMILES [?]:
CCc1ccc(s1)c2cc(c3cc(ccc3n2)Br)C(=O)NN
InChi [?]:
InChI=1/C16H14BrN3OS/c1-2-10-4-6-15(22-10)14-8-12(16(21)20-18)11-7-9(17)3-5-13(11)19-14/h3-8H,2,18H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,14,4,15,5,12,9,13,3,11,10,16,8,6,19,18,22,17,21,20,7/rA:22nCCCCCCSCCCCCCCCCNBrCONN/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s13;s10;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14BrN3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6599 |
Area: | 527.218 |
Solvation: | -2.52053 |
Coulombic: | -35.0574 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.272 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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