Chemical ID: 6135487

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccccc4
Chemical ID:
6135487
Name [?]:
3-benzyl-N-(m-tolyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccccc4
InChi [?]:
InChI=1/C25H23N3O2S/c1-18-9-8-14-21(15-18)26-24(30)22-16-23(29)28(17-19-10-4-2-5-11-19)25(31-22)27-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,29,21,28,30,20,22,4,3,27,31,19,23,5,7,12,25,2,26,18,6,11,13,9,16,8,17,15,14,10,24/E:(4,5)(6,7)(10,11)(12,13)/rA:31cCCCCCCCNCOCCCONCNCCCCCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s11s16;s15;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.4292
Area:641.882
Solvation:-3.61786
Coulombic:-44.6994
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:429.535
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):6.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue