N-{3-[butyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[butyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C308-0067 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 531.69 |
| Molecular Formula: | C31 H34 F N3 O2 S |
| Smiles: | CCCCN(C)CCCNC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9765 |
| logD: | 3.4374 |
| logSw: | -5.4722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.668 |
| InChI Key: | IUUXTJBCQLNEAM-UHFFFAOYSA-N |