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Chemical ID: 6039036
Chemical ID:
6039036
Name [?]:
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)CCN(C2CC2)C(=O)c3cnccn3)F
InChi [?]:
InChI=1/C18H19FN4O2/c19-14-3-1-13(2-4-14)11-22-17(24)7-10-23(15-5-6-15)18(25)16-12-20-8-9-21-16/h1-4,8-9,12,15H,5-7,10-11H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,11,22,23,12,7,20,6,3,14,19,9,17,25,21,24,8,13,10,18/E:(1,2)(3,4)(5,6)/rA:25nCCCCCCCNCOCCNCCCCOCCNCCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s14s15;s13;d17;s17;s19;d20;s21;d22;d19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19FN4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.694 |
Area: | 547.379 |
Solvation: | -3.99048 |
Coulombic: | -52.4144 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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