Chemical ID: 5275783

Cc1c(c(=O)[nH]c(n1)SCc2c(cccc2Cl)F)Cc3ccccc3
Chemical ID:
5275783
Name [?]:
5-benzyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1c(c(=O)[nH]c(n1)SCc2c(cccc2Cl)F)Cc3ccccc3
InChi [?]:
InChI=1/C19H16ClFN2OS/c1-12-14(10-13-6-3-2-4-7-13)18(24)23-19(22-12)25-11-15-16(20)8-5-9-17(15)21/h2-9H,10-11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,14,21,25,15,13,19,10,2,20,3,11,16,12,4,7,17,18,8,6,5,9/E:(3,4)(6,7)/rA:25nCCCCONCNSCCCCCCCClFCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s3;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClFN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.193
Area:561.131
Solvation:-2.83528
Coulombic:-33.0504
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.86
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.23
LogP (Chemaxon):5.38

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Descriptor Annotations

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