Chemical ID: 7450862

CCC(=C1C(=NC(=O)N(C1=O)CC=C)O)NNC(=O)c2ccccc2O
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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