N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C308-0076 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C33 H38 F N3 O2 S |
| Smiles: | CC(C)CN(CCNC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)cc1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.1331 |
| logD: | 5.9501 |
| logSw: | -5.6953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.558 |
| InChI Key: | HOBSQXHTIWSJRW-DXJNIWACSA-N |