N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Chemical Structure Depiction of
N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Compound characteristics
| Compound ID: | C493-1377 |
| Compound Name: | N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide |
| Molecular Weight: | 568.15 |
| Molecular Formula: | C31 H35 Cl F N3 O2 S |
| Smiles: | CCCCN(CCCNC(C(C)C1C(N(Cc2ccc(cc2[Cl])F)c2ccccc2S1)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8419 |
| logD: | 6.8132 |
| logSw: | -6.2211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.84 |
| InChI Key: | BTFRNSIBNGKDBU-UHFFFAOYSA-N |