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Chemical ID: 7263870
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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