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Chemical ID: 6033175

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccncc2)Cc3ccccc3

Chemical ID:

6033175

Name [?]:

N-benzyl-2,5-dimethyl-N-[2-(4-pyridylmethylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccncc2)Cc3ccccc3

InChi [?]:

InChI=1/C23H25N3O3/c1-17-14-21(18(2)29-17)23(28)26(16-20-6-4-3-5-7-20)13-10-22(27)25-15-19-8-11-24-12-9-19/h3-9,11-12,14H,10,13,15-16H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,7,27,26,28,25,29,18,22,12,19,21,11,3,16,23,2,5,17,24,4,13,8,20,15,10,14,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29nCCCCCOCCONCCCONCCCCNCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s10;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2889
Area:	634.111
Solvation:	-4.56387
Coulombic:	-48.7619

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	391.463
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.14
LogP (Chemaxon):	1.75

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