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Chemical ID: 7098748

c1ccc(cc1)CC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccc(cc4)F

Chemical ID:

7098748

Name [?]:

N-[2-[(4-fluorophenyl)methyl]-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl]-2-phenyl-acetamide

SMILES [?]:

c1ccc(cc1)CC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccc(cc4)F

InChi [?]:

InChI=1/C23H19FN2O3/c24-18-8-6-17(7-9-18)14-26-20-11-10-19(13-21(20)29-15-23(26)28)25-22(27)12-16-4-2-1-3-5-16/h1-11,13H,12,14-15H2,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,24,28,25,27,12,13,7,16,22,18,4,23,26,11,14,15,8,19,29,10,21,9,20,17/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCCONCCCCCCOCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s14s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉FN₂O₃
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.30607
Area:	591.71
Solvation:	-5.48667
Coulombic:	-49.4759

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	390.407
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.45
LogP (Chemaxon):	3.69

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