Chemical ID: 7341508

CN(Cc1ccc(cc1)OC)C(=S)Nc2ccc(c(c2)Cl)F
Chemical ID:
7341508
Name [?]:
3-(3-chloro-4-fluoro-phenyl)-1-[(4-methoxyphenyl)methyl]-1-methyl-thiourea
SMILES [?]:
CN(Cc1ccc(cc1)OC)C(=S)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C16H16ClFN2OS/c1-20(10-11-3-6-13(21-2)7-4-11)16(22)19-12-5-8-15(18)14(17)9-12/h3-9H,10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,11,5,9,16,6,8,17,20,3,4,15,7,19,18,12,21,22,14,2,10,13/E:(3,4)(6,7)/rA:22nCNCCCCCCCOCCSNCCCCCCClF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s2;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClFN2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.54298
Area:521.008
Solvation:-3.48223
Coulombic:-31.6909
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.828
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.51

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