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Chemical ID: 6348642

c1ccc(cc1)C(CC(=O)Nc2nc(cs2)c3ccc(cc3)F)c4ccccc4

Chemical ID:

6348642

Name [?]:

N-[4-(4-fluorophenyl)thiazol-2-yl]-3,3-diphenyl-propanamide

SMILES [?]:

c1ccc(cc1)C(CC(=O)Nc2nc(cs2)c3ccc(cc3)F)c4ccccc4

InChi [?]:

InChI=1/C24H19FN2OS/c25-20-13-11-19(12-14-20)22-16-29-24(26-22)27-23(28)15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,21H,15H2,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,26,28,3,5,25,29,18,22,19,21,8,15,4,24,17,20,7,14,9,12,23,13,11,10,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:29nCCCCCCCCCONCNCCSCCCCCCFCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s7;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉FN₂OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3575
Area:	617.634
Solvation:	-4.08336
Coulombic:	-32.9289

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	402.485
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.46
LogP (Chemaxon):	6.64

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