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Chemical ID: 4151446
Chemical ID:
4151446
Name [?]:
methyl 4-[2-[4-(p-tolyl)phenoxy]acetyl]aminobenzoate
SMILES [?]:
Cc1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C23H21NO4/c1-16-3-5-17(6-4-16)18-9-13-21(14-10-18)28-15-22(25)24-20-11-7-19(8-12-20)23(26)27-2/h3-14H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,4,6,21,23,9,13,20,24,10,12,15,2,5,8,22,19,11,16,25,18,17,26,27,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3575 |
Area: | 626.63 |
Solvation: | -5.30822 |
Coulombic: | -49.3478 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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