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Chemical ID: 5844963
Chemical ID:
5844963
Name [?]:
[4-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 2-chlorobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C23H18Cl2N2O5/c1-30-21-12-15(10-11-20(21)32-23(29)16-6-2-3-7-17(16)24)13-26-27-22(28)14-31-19-9-5-4-8-18(19)25/h2-13H,14H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,14,15,29,28,13,16,30,27,6,7,4,19,24,5,12,17,31,26,8,3,22,10,18,32,20,21,23,11,2,25,9/rA:32nCOCCCCCCOCOCCCCCCClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18Cl2N2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91541 |
Area: | 708.613 |
Solvation: | -7.79992 |
Coulombic: | -54.2519 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 473.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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