N-[3-(butylsulfanyl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[3-(butylsulfanyl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0065 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 544.78 |
| Molecular Formula: | C32 H36 N2 O2 S2 |
| Smiles: | CCCCSCCCNC(c1ccc(/C=C2/C(N(Cc3cc(C)ccc3C)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6537 |
| logD: | 7.6537 |
| logSw: | -5.5841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.596 |
| InChI Key: | JRJQMZXVOBQVQM-UHFFFAOYSA-N |