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Chemical ID: 6039042
Chemical ID:
6039042
Name [?]:
ethyl 1-[3-(2-methoxyethyl-pyrazin-2-ylcarbonyl-amino)propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(CCOC)C(=O)c2cnccn2
InChi [?]:
InChI=1/C19H28N4O5/c1-3-28-19(26)15-4-9-22(10-5-15)17(24)6-11-23(12-13-27-2)18(25)16-14-20-7-8-21-16/h7-8,14-15H,3-6,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,7,11,14,26,27,8,10,15,17,18,24,6,23,12,21,4,25,28,9,16,13,22,5,19,3/E:(4,5)(9,10)/rA:28nCCOCOCCCNCCCOCCNCCOCCOCCNCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s16;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N4O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1858 |
Area: | 624.852 |
Solvation: | -6.43549 |
Coulombic: | -67.1573 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 392.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | -0.42 |
LogP (Chemaxon): | -1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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