Chemical ID: 6152882

CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6152882
Name [?]:
N-(3-chlorophenyl)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H20ClN3O3S/c1-3-24-18(25)12-17(19(26)22-14-8-6-7-13(21)11-14)28-20(24)23-15-9-4-5-10-16(15)27-2/h4-11,17H,3,12H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,13,14,24,25,23,12,15,27,6,26,22,11,16,7,4,19,9,28,21,10,3,5,20,17,8/rA:28cCCNCOCCSCNCCCCCCOCCONCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.2978
Area:612.919
Solvation:-5.02515
Coulombic:-49.6619
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:417.91
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):4.48

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Descriptor Annotations

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