4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(cyclohexylsulfanyl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(cyclohexylsulfanyl)propyl]benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(cyclohexylsulfanyl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-8906 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(cyclohexylsulfanyl)propyl]benzamide |
| Molecular Weight: | 577.21 |
| Molecular Formula: | C32 H33 Cl N2 O2 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8143 |
| logD: | 7.8143 |
| logSw: | -6.5408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.516 |
| InChI Key: | BWTTYUKZESWPTB-UHFFFAOYSA-N |