Chemical ID: 6153353

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)OC)C(=O)Nc3ccc(cc3C)C
Chemical ID:
6153353
Name [?]:
2-(3-chloro-4-methoxy-phenyl)imino-N-(2,4-dimethylphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)OC)C(=O)Nc3ccc(cc3C)C
InChi [?]:
InChI=1/C22H24ClN3O3S/c1-5-26-20(27)12-19(21(28)25-17-8-6-13(2)10-14(17)3)30-22(26)24-15-7-9-18(29-4)16(23)11-15/h6-11,19H,5,12H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,30,29,19,2,25,12,24,13,27,16,6,26,28,11,15,23,14,7,4,20,9,17,10,22,3,5,21,18,8/rA:30cCCNCOCCSCNCCCCCCClOCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;s7;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClN3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6048
Area:661.77
Solvation:-4.93941
Coulombic:-48.7007
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:445.963
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.48
LogP (Chemaxon):4.77

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Descriptor Annotations

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