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Chemical ID: 5534929
Chemical ID:
5534929
Name [?]:
methyl 4-methyl-3-(2-phenoxyacetyl)amino-benzoate
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccccc2)C(=O)OC
InChi [?]:
InChI=1/C17H17NO4/c1-12-8-9-13(17(20)21-2)10-15(12)18-16(19)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,14,18,3,4,6,11,2,5,13,7,9,19,8,10,20,21,12/E:(4,5)(6,7)/rA:22nCCCCCCCNCOCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95812 |
Area: | 518.109 |
Solvation: | -4.99462 |
Coulombic: | -48.0336 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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