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Chemical ID: 7706898
Chemical ID:
7706898
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2OCC=C
InChi [?]:
InChI=1/C19H19N3O3/c1-3-12-25-17-7-5-4-6-15(17)13-20-22-19(24)18(23)21-16-10-8-14(2)9-11-16/h3-11,13H,1,12H2,2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:25,1,24,18,19,17,20,3,7,4,6,23,15,2,16,5,21,9,11,14,8,13,10,12,22/E:(8,9)(10,11)/rA:25nCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.32321 |
Area: | 571.838 |
Solvation: | -4.97274 |
Coulombic: | -52.4856 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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