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Chemical ID: 6628774
Chemical ID:
6628774
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H23ClN2O5/c1-29-20-8-10-21(11-9-20)31-16-24(28)27-26-14-18-5-12-22(23(13-18)30-2)32-15-17-3-6-19(25)7-4-17/h3-14H,15-16H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,23,27,31,17,28,30,4,8,5,7,18,21,15,25,10,26,16,29,3,6,19,20,11,32,14,13,12,2,22,9,24/E:(3,4)(6,7)(8,9)(10,11)/rA:32nCOCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52216 |
Area: | 726.642 |
Solvation: | -10.6439 |
Coulombic: | -47.205 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 454.903 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.48 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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