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Chemical ID: 6032329
Chemical ID:
6032329
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-(2-furylmethyl)amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(Cc2ccco2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C23H30N2O6/c1-4-29-23(28)18-7-10-24(11-8-18)21(26)9-12-25(15-19-6-5-13-30-19)22(27)20-14-16(2)31-17(20)3/h5-6,13-14,18H,4,7-12,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,20,19,7,11,14,8,10,15,21,26,17,27,29,6,18,25,12,23,4,9,16,13,24,5,3,22,28/E:(7,8)(10,11)/rA:31nCCOCOCCCNCCCOCCNCCCCCOCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0407 |
Area: | 667.49 |
Solvation: | -5.64656 |
Coulombic: | -62.6298 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.494 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.19 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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