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Chemical ID: 6038875

c1ccc(cc1)CCNC(=O)CCN(CCc2ccccc2)C(=O)c3cnccn3

Chemical ID:

6038875

Name [?]:

N-phenethyl-N-[2-(phenethylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)CCN(CCc2ccccc2)C(=O)c3cnccn3

InChi [?]:

InChI=1/C24H26N4O2/c29-23(27-14-11-20-7-3-1-4-8-20)13-18-28(17-12-21-9-5-2-6-10-21)24(30)22-19-25-15-16-26-22/h1-10,15-16,19H,11-14,17-18H2,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,7,16,12,8,28,29,15,13,26,4,17,25,10,23,27,30,9,14,11,24/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCCCCCCCCNCOCCNCCCCCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s14;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1542
Area:	672.648
Solvation:	-3.66203
Coulombic:	-51.3506

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.489
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.7
LogP (Chemaxon):	2.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value