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Chemical ID: 4651276
Chemical ID:
4651276
Name [?]:
N-(3-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C19H19N3O3S/c1-22-17(23)12-16(26-19(22)21-13-7-4-3-5-8-13)18(24)20-14-9-6-10-15(11-14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,13,12,14,21,11,15,20,22,24,5,10,19,23,6,3,16,8,18,9,2,4,17,25,7/E:(4,5)(7,8)/rA:26cCNCOCCSCNCCCCCCCONCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.2409 |
Area: | 564.837 |
Solvation: | -4.88003 |
Coulombic: | -48.9615 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.77 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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