Chemical ID: 6036858

CCOC(=O)C1CCN(CC1)C(=O)CCN(Cc2ccc(cc2)F)C(=O)c3cc(oc3C)C
Chemical ID:
6036858
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-[(4-fluorophenyl)methyl]amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(Cc2ccc(cc2)F)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C25H31FN2O5/c1-4-32-25(31)20-9-12-27(13-10-20)23(29)11-14-28(16-19-5-7-21(26)8-6-19)24(30)22-15-17(2)33-18(22)3/h5-8,15,20H,4,9-14,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,32,2,19,23,20,22,7,11,14,8,10,15,28,17,29,31,18,6,21,27,12,25,4,24,9,16,13,26,5,3,30/E:(5,6)(7,8)(9,10)(12,13)/rA:33nCCOCOCCCNCCCOCCNCCCCCCCFCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s16;d25;s25;s27;d28;s29;d27s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31FN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.0561
Area:713.031
Solvation:-5.76963
Coulombic:-60.8014
Bond Count [?]
All:35
Single:27
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.523
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.65
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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