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Chemical ID: 6036871

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccncc2)Cc3ccc(cc3)F

Chemical ID:

6036871

Name [?]:

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

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccncc2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C23H24FN3O3/c1-16-13-21(17(2)30-16)23(29)27(15-19-3-5-20(24)6-4-19)12-9-22(28)26-14-18-7-10-25-11-8-18/h3-8,10-11,13H,9,12,14-15H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,7,25,29,26,28,18,22,12,19,21,11,3,16,23,2,5,17,24,27,4,13,8,30,20,15,10,14,9,6/E:(3,4)(5,6)(7,8)(10,11)/rA:30nCCCCCOCCONCCCONCCCCNCCCCCCCCCF/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄FN₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6545
Area:	641.464
Solvation:	-5.38208
Coulombic:	-51.8174

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	409.453
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.31
LogP (Chemaxon):	1.89

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

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

Chemical Mix	Source	External ID	Descriptor	Value