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Chemical ID: 4881810
Chemical ID:
4881810
Name [?]:
N'-[1-(1-allyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)ethyl]pyridine-4-carbohydrazide
SMILES [?]:
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NNC(=O)c2ccncc2
InChi [?]:
InChI=1/C15H15N5O4/c1-3-8-20-14(23)11(13(22)17-15(20)24)9(2)18-19-12(21)10-4-6-16-7-5-10/h3-7,18H,1,8H2,2H3,(H,19,21)(H,17,22,24)
InChi Info:
AuxInfo=1/1/N:14,1,13,20,24,21,23,12,2,19,3,17,4,10,7,22,6,15,16,9,18,5,11,8/E:(4,5)(6,7)/rA:24nCCCCONCONCOCCCNNCOCCCNCC/rB:s1;w2;s3;d4;s4;s6;d7;s7;s3s9;d10;s9;s12;d13;s2;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N5O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57101 |
Area: | 527.494 |
Solvation: | -4.61633 |
Coulombic: | -78.5441 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.311 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.15 |
LogP (Chemaxon): | -1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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