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Chemical ID: 3948664
Chemical ID:
3948664
Name [?]:
ethyl 4-[2-[4-(4-fluorobenzoyl)-1-piperidyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C23H25FN2O4/c1-2-30-23(29)18-5-9-20(10-6-18)25-21(27)15-26-13-11-17(12-14-26)22(28)16-3-7-19(24)8-4-16/h3-10,17H,2,11-15H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,29,7,11,26,28,8,10,18,20,17,21,15,24,19,6,27,9,13,22,4,30,12,16,14,23,5,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCOCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25FN2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3739 |
Area: | 654.753 |
Solvation: | -5.9949 |
Coulombic: | -56.3801 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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