Chemical ID: 6039042

CCOC(=O)C1CCN(CC1)C(=O)CCN(CCOC)C(=O)c2cnccn2
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

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Descriptor Annotations

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