ChemDB: Chemical Search
Download
Chemical ID: 5168703
Chemical ID:
5168703
Name [?]:
3,5-diphenyl-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide
SMILES [?]:
c1ccc(cc1)C2CC(=NS(=O)(=O)N2)c3ccccc3
InChi [?]:
InChI=1/C15H14N2O2S/c18-20(19)16-14(12-7-3-1-4-8-12)11-15(17-20)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,3,5,16,20,8,4,15,7,9,14,10,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(18,19)/CRV:20.6/rA:20cCCCCCCCCCNSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d11;s7s11;s9;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.43612 |
Area: | 465.135 |
Solvation: | -2.19226 |
Coulombic: | -16.3273 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|