Chemical ID: 7263870

CN(CC(=O)Nc1ccccc1F)CC(=O)Nc2ccccc2SC
Chemical ID:
7263870
Name [?]:
N-(2-fluorophenyl)-2-[methyl-[(2-methylsulfanylphenyl)carbamoylmethyl]amino]-acetamide
SMILES [?]:
CN(CC(=O)Nc1ccccc1F)CC(=O)Nc2ccccc2SC
InChi [?]:
InChI=1/C18H20FN3O2S/c1-22(11-17(23)20-14-8-4-3-7-13(14)19)12-18(24)21-15-9-5-6-10-16(15)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,10,9,20,21,11,8,19,22,3,14,12,7,18,23,4,15,13,6,17,2,5,16,24/rA:25cCNCCONCCCCCCFCCONCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s2;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FN3O2S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.16877
Area:573.803
Solvation:-5.17629
Coulombic:-50.8944
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:361.435
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.44
LogP (Chemaxon):2.47

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