2-benzylidene-N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9148 |
| Compound Name: | 2-benzylidene-N-{2-[bis(2-methylpropyl)amino]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C33 H38 F N3 O2 S |
| Smiles: | CC(C)CN(CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.1236 |
| logD: | 5.9406 |
| logSw: | -5.5294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.558 |
| InChI Key: | JYFCXBIQYWLTCW-UHFFFAOYSA-N |