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Chemical ID: 5361714
Chemical ID:
5361714
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O4/c1-28-21-11-18(12-22(13-21)29-2)23(27)26-25-14-16-5-9-20(10-6-16)30-15-17-3-7-19(24)8-4-17/h3-14H,15H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,25,29,17,21,26,28,18,20,4,6,8,15,23,16,24,5,27,19,3,7,11,30,14,13,12,2,9,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(21,22)(28,29)/rA:30nCOCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63452 |
Area: | 667.129 |
Solvation: | -7.0437 |
Coulombic: | -41.9359 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.877 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.07 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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