Chemical ID: 6152890

CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cc(cc(c3)Cl)Cl
Chemical ID:
6152890
Name [?]:
N-(3,5-dichlorophenyl)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C20H19Cl2N3O3S/c1-3-25-18(26)11-17(19(27)23-14-9-12(21)8-13(22)10-14)29-20(25)24-15-6-4-5-7-16(15)28-2/h4-10,17H,3,11H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,18,2,13,14,12,15,25,23,27,6,24,26,22,11,16,7,4,19,9,29,28,21,10,3,5,20,17,8/E:(9,10)(12,13)(21,22)/rA:29cCCNCOCCSCNCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19Cl2N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.1597
Area:647.019
Solvation:-5.01581
Coulombic:-49.4627
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:452.355
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.44
LogP (Chemaxon):5.0

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Descriptor Annotations

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