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Chemical ID: 6033132
Chemical ID:
6033132
Name [?]:
ethyl 1-[3-(3-furylcarbonyl-(tetrahydrofuran-2-ylmethyl)amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(CC2CCCO2)C(=O)c3ccoc3
InChi [?]:
InChI=1/C21H30N2O6/c1-2-28-21(26)16-5-9-22(10-6-16)19(24)7-11-23(14-18-4-3-12-29-18)20(25)17-8-13-27-15-17/h8,13,15-16,18H,2-7,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,7,11,14,26,8,10,15,21,27,17,29,6,25,18,12,23,4,9,16,13,24,5,28,3,22/E:(5,6)(9,10)/rA:29cCCOCOCCCNCCCOCCNCCCCCOCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.20234 |
Area: | 640.302 |
Solvation: | -6.8052 |
Coulombic: | -62.4761 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 406.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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