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Chemical ID: 6412365
Chemical ID:
6412365
Name [?]:
N-benzylideneamino-2-(4-methoxyphenyl)amino-acetamide
SMILES [?]:
COc1ccc(cc1)NCC(=O)NN=Cc2ccccc2
InChi [?]:
InChI=1/C16H17N3O2/c1-21-15-9-7-14(8-10-15)17-12-16(20)19-18-11-13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,5,7,4,8,15,10,16,6,3,11,9,14,13,12,2/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCNCCONNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55851 |
Area: | 505.021 |
Solvation: | -5.06703 |
Coulombic: | -38.086 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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