Chemical ID: 6038650

CN(C)CCN(Cc1ccccc1)C(=O)CCN(CCCOC)C(=O)c2cnccn2
Chemical ID:
6038650
Name [?]:
N-[2-(benzyl-(2-dimethylaminoethyl)carbamoyl)ethyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILES [?]:
CN(C)CCN(Cc1ccccc1)C(=O)CCN(CCCOC)C(=O)c2cnccn2
InChi [?]:
InChI=1/C23H33N5O3/c1-26(2)15-16-28(19-20-8-5-4-6-9-20)22(29)10-14-27(13-7-17-31-3)23(30)21-18-24-11-12-25-21/h4-6,8-9,11-12,18H,7,10,13-17,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,11,10,12,20,9,13,16,29,30,19,17,4,5,21,27,7,8,26,14,24,28,31,2,18,6,15,25,22/E:(1,2)(5,6)(8,9)/rA:31nCNCCCNCCCCCCCCOCCNCCCOCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s16;s17;s18;s19;s20;s21;s22;s18;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N5O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8093
Area:701.514
Solvation:-5.72854
Coulombic:-56.9234
Bond Count [?]
All:32
Single:24
Double:8
Rotors:15
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:427.54
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.84
LogP (Chemaxon):-0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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