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Chemical ID: 6153238
Chemical ID:
6153238
Name [?]:
3-ethyl-4-oxo-N-(4-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)CC
InChi [?]:
InChI=1/C23H24F3N3O3S/c1-3-12-32-18-10-8-16(9-11-18)27-21(31)19-14-20(30)29(4-2)22(33-19)28-17-7-5-6-15(13-17)23(24,25)26/h5-11,13,19H,3-4,12,14H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,32,23,24,22,7,9,6,10,3,26,15,25,8,21,5,14,16,12,19,27,28,29,30,11,20,18,17,13,4,31/E:(8,9)(10,11)(24,25,26)/rA:33cCCCOCCCCCCNCOCCCONCNCCCCCCCFFFSCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s14s19;s18;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24F3N3O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7426 |
Area: | 683.028 |
Solvation: | -5.33307 |
Coulombic: | -67.6832 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 479.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.9 |
LogP (Chemaxon): | 5.66 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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