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Chemical ID: 4343944

c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)F

Chemical ID:

4343944

Name [?]:

4-benzyloxy-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-benzamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)F

InChi [?]:

InChI=1/C24H19FN2O2S/c25-20-10-6-17(7-11-20)14-22-15-26-24(30-22)27-23(28)19-8-12-21(13-9-19)29-16-18-4-2-1-3-5-18/h1-13,15H,14,16H2,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,25,29,11,13,26,28,10,14,23,20,7,24,4,12,27,9,21,15,18,30,19,17,16,8,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉FN₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0843
Area:	659.7
Solvation:	-5.40816
Coulombic:	-40.2149

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	418.484
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.73
LogP (Chemaxon):	5.71

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

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Chemical Mix	Source	External ID	Descriptor	Value