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Chemical ID: 6038981

CC(C)CN(CCC(=O)N(CCN(C)C)Cc1ccccc1)C(=O)c2cnccn2

Chemical ID:

6038981

Name [?]:

N-[2-(benzyl-(2-dimethylaminoethyl)carbamoyl)ethyl]-N-isobutyl-pyrazine-2-carboxamide

SMILES [?]:

CC(C)CN(CCC(=O)N(CCN(C)C)Cc1ccccc1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C23H33N5O2/c1-19(2)17-28(23(30)21-16-24-11-12-25-21)13-10-22(29)27(15-14-26(3)4)18-20-8-6-5-7-9-20/h5-9,11-12,16,19H,10,13-15,17-18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,14,15,20,19,21,18,22,7,28,29,6,12,11,26,4,16,2,17,25,8,23,27,30,13,10,5,9,24/E:(1,2)(3,4)(6,7)(8,9)/rA:30nCCCCNCCCONCCNCCCCCCCCCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s13;s10;s16;s17;d18;s19;d20;d17s21;s5;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₃N₅O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6416
Area:	655.047
Solvation:	-3.73454
Coulombic:	-50.6417

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	411.541
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.75
LogP (Chemaxon):	1.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value