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Chemical ID: 7450862
Chemical ID:
7450862
Name [?]:
N'-[1-(1-allyl-4-hydroxy-2,6-dioxo-pyrimidin-5-ylidene)propyl]-2-hydroxy-benzohydrazide
SMILES [?]:
CCC(=C1C(=NC(=O)N(C1=O)CC=C)O)NNC(=O)c2ccccc2O
InChi [?]:
InChI=1/C17H18N4O5/c1-3-9-21-16(25)13(15(24)18-17(21)26)11(4-2)19-20-14(23)10-7-5-6-8-12(10)22/h3,5-8,19,22H,1,4,9H2,2H3,(H,20,23)(H,18,24,26)
InChi Info:
AuxInfo=1/1/N:14,1,13,2,22,23,21,24,12,20,3,25,4,18,5,10,7,6,16,17,9,26,19,15,11,8/rA:26nCCCCCNCONCOCCCONNCOCCCCCCO/rB:s1;s2;w3;s4;d5;s6;d7;s7;s4s9;d10;s9;s12;d13;s5;s3;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N4O5 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.77111 |
Area: | 552.245 |
Solvation: | -5.03502 |
Coulombic: | -94.3594 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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