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Chemical ID: 6757142
Chemical ID:
6757142
Name [?]:
3-(4-hydroxyphenyl)-2-[2-(4-methylbenzoyl)aminobenzoyl]amino-propanoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccccc2C(=O)NC(Cc3ccc(cc3)O)C(=O)[O-]
InChi [?]:
InChI=1/C24H22N2O5/c1-15-6-10-17(11-7-15)22(28)25-20-5-3-2-4-19(20)23(29)26-21(24(30)31)14-16-8-12-18(27)13-9-16/h2-13,21,27H,14H2,1H3,(H,25,28)(H,26,29)(H,30,31)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,3,7,23,27,4,6,24,26,21,2,22,5,25,16,11,20,8,17,29,10,19,28,9,18,30,31/E:(6,7)(8,9)(10,11)(12,13)(30,31)/rA:31cCCCCCCCCONCCCCCCCONCCCCCCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;s25;s20;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N2O5- |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -28.5189 |
Area: | 650.003 |
Solvation: | -44.769 |
Coulombic: | -61.8673 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.434 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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