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Chemical ID: 6032368
Chemical ID:
6032368
Name [?]:
ethyl 1-[3-[(2,5-dimethyl-3-furyl)carbonyl-(2-methoxyethyl)amino]propanoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)CCN(CCOC)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C21H32N2O6/c1-5-28-21(26)17-7-6-9-23(14-17)19(24)8-10-22(11-12-27-4)20(25)18-13-15(2)29-16(18)3/h13,17H,5-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,20,2,8,7,14,9,15,17,18,24,11,25,27,6,23,12,21,4,16,10,13,22,5,19,3,26/rA:29cCCOCOCCCCNCCOCCNCCOCCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s16;d21;s21;s23;d24;s25;d23s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N2O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0073 |
Area: | 670.884 |
Solvation: | -6.76478 |
Coulombic: | -62.7232 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 408.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 0.59 |
LogP (Chemaxon): | 0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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