Chemical ID: 7215450

c1cc(ccc1c2ccnc(n2)SCC(=O)Nc3ccc(cc3)OC(F)F)OC(F)F
Chemical ID:
7215450
Name [?]:
N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2ccnc(n2)SCC(=O)Nc3ccc(cc3)OC(F)F)OC(F)F
InChi [?]:
InChI=1/C20H15F4N3O3S/c21-18(22)29-14-5-1-12(2-6-14)16-9-10-25-20(27-16)31-11-17(28)26-13-3-7-15(8-4-13)30-19(23)24/h1-10,18-19H,11H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,5,19,23,2,4,20,22,8,9,14,6,18,3,21,7,15,29,25,11,30,31,26,27,10,17,12,16,28,24,13/E:(1,2)(3,4)(5,6)(7,8)(21,22)(23,24)/rA:31nCCCCCCCCCNCNSCCONCCCCCCOCFFOCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s3;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F4N3O3S
All Atoms:46
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.10845
Area:639.45
Solvation:-6.87781
Coulombic:-70.5554
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:453.411
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.32
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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