Chemical ID: 6843707

CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)[O-]
Chemical ID:
6843707
Name [?]:
4-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]aminobenzoate
SMILES [?]:
CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)[O-]
InChi [?]:
InChI=1/C24H23NO4/c1-24(2,18-6-4-3-5-7-18)19-10-14-21(15-11-19)29-16-22(26)25-20-12-8-17(9-13-20)23(27)28/h3-15H,16H2,1-2H3,(H,25,26)(H,27,28)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,6,8,5,9,23,25,11,15,22,26,12,14,17,24,4,10,21,13,18,27,2,20,19,28,29,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/rA:29nCCCCCCCCCCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22NO4-
All Atoms:51
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-31.1272
Area:629.124
Solvation:-46.8553
Coulombic:-30.6647
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.436
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.12
LogP (Chemaxon):5.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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