Chemical ID: 6412365

COc1ccc(cc1)NCC(=O)NN=Cc2ccccc2
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

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