N-{3-[(4-chlorophenyl)sulfanyl]-2-methylpropyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[(4-chlorophenyl)sulfanyl]-2-methylpropyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[(4-chlorophenyl)sulfanyl]-2-methylpropyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-8132 |
| Compound Name: | N-{3-[(4-chlorophenyl)sulfanyl]-2-methylpropyl}-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 599.21 |
| Molecular Formula: | C34 H31 Cl N2 O2 S2 |
| Smiles: | CC(CNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O)CSc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.9316 |
| logD: | 8.9316 |
| logSw: | -6.2585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.483 |
| InChI Key: | DBBYEZUPHJMVRF-DEOSSOPVSA-N |