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Chemical ID: 7532363
Chemical ID:
7532363
Name [?]:
methyl 2-[2-(2,4,5-trimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(c(cc1C)OCC(=O)Nc2ccccc2C(=O)OC)C
InChi [?]:
InChI=1/C19H21NO4/c1-12-9-14(3)17(10-13(12)2)24-11-18(21)20-16-8-6-5-7-15(16)19(22)23-4/h5-10H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,17,16,18,15,3,6,10,2,7,4,19,14,5,11,20,13,12,21,22,9/rA:24nCCCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.67474 |
Area: | 551.808 |
Solvation: | -4.12047 |
Coulombic: | -48.9111 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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