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Chemical ID: 7098749

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccc(cc4)F

Chemical ID:

7098749

Name [?]:

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

SMILES [?]:

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccc(cc4)F

InChi [?]:

InChI=1/C23H20FN3O5S/c1-15(28)25-18-6-9-20(10-7-18)33(30,31)26-19-8-11-21-22(12-19)32-14-23(29)27(21)13-16-2-4-17(24)5-3-16/h2-12,26H,13-14H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,28,32,29,31,6,10,16,7,9,17,20,26,22,2,27,30,5,15,8,18,19,23,33,4,14,25,3,24,12,13,21,11/E:(2,3)(4,5)(6,7)(9,10)(30,31)/CRV:33.6/rA:33nCCONCCCCCCSOONCCCCCCOCCONCCCCCCCF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s18s23;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀FN₃O₅S
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.9788
Area:	637.94
Solvation:	-5.9697
Coulombic:	-59.4246

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	469.487
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.61
LogP (Chemaxon):	2.4

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