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Chemical ID: 6325132
Chemical ID:
6325132
Name [?]:
methyl 3-[2-(4-sec-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C20H23NO4/c1-4-14(2)15-8-10-18(11-9-15)25-13-19(22)21-17-7-5-6-16(12-17)20(23)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,25,2,18,19,17,6,10,7,9,21,12,3,5,20,16,8,13,22,15,14,23,24,11/E:(8,9)(10,11)/rA:25cCCCCCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.69263 |
Area: | 588.452 |
Solvation: | -5.01866 |
Coulombic: | -48.8623 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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