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Chemical ID: 5783321
Chemical ID:
5783321
Name [?]:
4-chloro-N-(4-pyridylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccncc2)Cl
InChi [?]:
InChI=1/C15H13ClN4O2/c16-13-3-1-12(2-4-13)15(22)18-10-14(21)20-19-9-11-5-7-17-8-6-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,17,21,18,20,15,10,16,6,3,11,7,22,19,9,14,13,12,8/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCONCCONNCCCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82033 |
Area: | 537.001 |
Solvation: | -4.60468 |
Coulombic: | -44.6228 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.742 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.54 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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