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Chemical ID: 6153353
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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