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Chemical ID: 7149035
Chemical ID:
7149035
Name [?]:
4-(4-fluorophenyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carbohydrazide
SMILES [?]:
c1cc(ccc1C2CC(n3c(cc(n3)C(=O)NN)N2)C(F)(F)F)F
InChi [?]:
InChI=1/C14H13F4N5O/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)23-12(20-9)6-10(22-23)13(24)21-19/h1-4,6,9,11,20H,5,19H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,12,6,3,7,13,9,11,15,20,24,21,22,23,18,19,17,14,10,16/E:(1,2)(3,4)(16,17,18)/rA:24cCCCCCCCCCNCCCNCONNNCFFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s12;s10d13;s13;d15;s15;s17;s7s11;s9;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13F4N5O |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.36456 |
Area: | 490.954 |
Solvation: | -4.90929 |
Coulombic: | -67.0965 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.28 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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