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Chemical ID: 6018159

c1ccc2c(c1)c(cn2Cc3ccc(cc3)F)C(CC(=O)NC4CC4)c5cccs5

Chemical ID:

6018159

Name [?]:

N-cyclopropyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(2-thienyl)propanamide

SMILES [?]:

c1ccc2c(c1)c(cn2Cc3ccc(cc3)F)C(CC(=O)NC4CC4)c5cccs5

InChi [?]:

InChI=1/C25H23FN2OS/c26-18-9-7-17(8-10-18)15-28-16-22(20-4-1-2-5-23(20)28)21(24-6-3-13-30-24)14-25(29)27-19-11-12-19/h1-10,13,16,19,21H,11-12,14-15H2,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,28,6,3,27,12,16,13,15,24,25,29,19,10,8,11,14,23,5,18,7,4,26,20,17,22,9,21,30/E:(7,8)(9,10)(11,12)/rA:30cCCCCCCCCNCCCCCCCFCCCONCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s7;s18;s19;d20;s20;s22;s23;s23s24;s18;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃FN₂OS
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3378
Area:	646.73
Solvation:	-3.83047
Coulombic:	-32.5816

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	418.527
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.75
LogP (Chemaxon):	5.31

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