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Chemical ID: 6153021
Chemical ID:
6153021
Name [?]:
2-(3,4-dimethylphenyl)imino-N-(4-hexoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)C)C)S2)C
InChi [?]:
InChI=1/C26H33N3O3S/c1-5-6-7-8-15-32-22-13-11-20(12-14-22)27-25(31)23-17-24(30)29(4)26(33-23)28-21-10-9-18(2)19(3)16-21/h9-14,16,23H,5-8,15,17H2,1-4H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,31,30,33,2,3,4,5,26,25,10,12,9,13,6,29,18,27,28,11,24,8,17,19,15,22,14,23,21,20,16,7,32/E:(11,12)(13,14)/rA:33cCCCCCCOCCCCCCNCOCCCONCNCCCCCCCCSC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;s27;s17s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.9915 |
Area: | 739.92 |
Solvation: | -4.50652 |
Coulombic: | -50.3255 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 467.625 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.14 |
LogP (Chemaxon): | 6.56 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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