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Chemical ID: 6964211
Chemical ID:
6964211
Name [?]:
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyphenyl)amino-acetamide
SMILES [?]:
CC(=NNC(=O)CNc1ccccc1OC)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClN3O2/c1-12(13-7-9-14(18)10-8-13)20-21-17(22)11-19-15-5-3-4-6-16(15)23-2/h3-10,19H,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,11,12,10,13,18,22,19,21,7,2,17,20,9,14,5,23,8,3,4,6,15/E:(7,8)(9,10)/rA:23nCCNNCOCNCCCCCCOCCCCCCCCl/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s2;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN3O2 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7052 |
Area: | 569.983 |
Solvation: | -5.54438 |
Coulombic: | -38.4685 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.797 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.09 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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