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Chemical ID: 6381511
Chemical ID:
6381511
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-phenoxy-acetamide
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=NNC(=O)COc3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-27-22-14-19(12-13-21(22)29-16-18-8-4-2-5-9-18)15-24-25-23(26)17-28-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,27,13,15,26,28,12,16,25,29,6,7,4,17,10,22,11,5,24,8,3,20,18,19,21,2,23,9/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCOCCCCCCOCCCCCCCCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98648 |
Area: | 651.557 |
Solvation: | -9.30245 |
Coulombic: | -41.1798 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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