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Chemical ID: 6033184
Chemical ID:
6033184
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-(tetrahydrofuran-2-ylmethyl)amino]propanoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2CCCO2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C23H34N2O6/c1-4-29-23(28)18-7-5-10-24(14-18)21(26)9-11-25(15-19-8-6-12-30-19)22(27)20-13-16(2)31-17(20)3/h13,18-19H,4-12,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,8,20,7,19,14,9,15,21,26,11,17,27,29,6,18,25,12,23,4,10,16,13,24,5,3,22,28/rA:31cCCOCOCCCCNCCOCCNCCCCCOCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H34N2O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8969 |
Area: | 695.913 |
Solvation: | -6.50096 |
Coulombic: | -63.1886 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 434.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.13 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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