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Chemical ID: 6038650
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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