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Chemical ID: 6152768
Chemical ID:
6152768
Name [?]:
2-(4-ethoxyphenyl)imino-3-ethyl-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)OCC)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C22H25N3O4S/c1-4-25-20(26)14-19(21(27)24-17-8-6-7-9-18(17)28-3)30-22(25)23-15-10-12-16(13-11-15)29-5-2/h6-13,19H,4-5,14H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,19,30,2,18,25,26,24,27,12,16,13,15,6,11,14,23,28,7,4,20,9,10,22,3,5,21,29,17,8/E:(10,11)(12,13)/rA:30cCCNCOCCSCNCCCCCCOCCCONCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s7;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.658 |
Area: | 650.758 |
Solvation: | -5.61097 |
Coulombic: | -56.6882 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 427.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.54 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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