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Chemical ID: 5927352

CCc1cccc2c1[nH]cc2C(CC(=O)NCc3ccncc3)c4ccc(cc4)F

Chemical ID:

5927352

Name [?]:

3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)-N-(4-pyridylmethyl)propanamide

SMILES [?]:

CCc1cccc2c1[nH]cc2C(CC(=O)NCc3ccncc3)c4ccc(cc4)F

InChi [?]:

InChI=1/C25H24FN3O/c1-2-18-4-3-5-21-23(16-29-25(18)21)22(19-6-8-20(26)9-7-19)14-24(30)28-15-17-10-12-27-13-11-17/h3-13,16,22,29H,2,14-15H2,1H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,5,4,6,25,29,26,28,19,23,20,22,13,17,10,18,3,24,27,7,12,11,14,8,30,21,16,9,15/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCNCCCCCONCCCCNCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s12;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄FN₃O
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5988
Area:	637.91
Solvation:	-4.34897
Coulombic:	-41.096

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	401.476
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.28
LogP (Chemaxon):	4.87

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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