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Chemical ID: 7099953
Chemical ID:
7099953
Name [?]:
4-[2-[4-(4-ethoxybenzoyl)-1-piperidyl]acetyl]aminobenzoic acid
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C23H26N2O5/c1-2-30-20-9-5-16(6-10-20)22(27)17-11-13-25(14-12-17)15-21(26)24-19-7-3-18(4-8-19)23(28)29/h3-10,17H,2,11-15H2,1H3,(H,24,26)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,24,26,6,8,23,27,5,9,13,17,14,16,18,7,12,25,22,4,19,10,28,21,15,20,11,29,30,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(28,29)/rA:30nCCOCCCCCCCOCCCNCCCCONCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.191 |
Area: | 659.108 |
Solvation: | -6.28672 |
Coulombic: | -67.4835 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.463 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.61 |
LogP (Chemaxon): | 0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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