Chemical ID: 6153225

CCN1C(=O)CC(SC1=Nc2cccc(c2)F)C(=O)Nc3ccccc3Cl
Chemical ID:
6153225
Name [?]:
N-(2-chlorophenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2cccc(c2)F)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClFN3O2S/c1-2-24-17(25)11-16(18(26)23-15-9-4-3-8-14(15)20)27-19(24)22-13-7-5-6-12(21)10-13/h3-10,16H,2,11H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,13,14,12,25,22,16,6,15,11,26,21,7,4,18,9,27,17,10,20,3,5,19,8/rA:27cCCNCOCCSCNCCCCCCFCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s7;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClFN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.6591
Area:586.038
Solvation:-3.99181
Coulombic:-46.4128
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:405.874
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.07
LogP (Chemaxon):4.22

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Descriptor Annotations

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