4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Chemical Structure Depiction of
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Compound characteristics
| Compound ID: | C308-0632 |
| Compound Name: | 4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-{3-[(propan-2-yl)oxy]propyl}benzamide |
| Molecular Weight: | 504.62 |
| Molecular Formula: | C29 H29 F N2 O3 S |
| Smiles: | CC(C)OCCCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)F)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3371 |
| logD: | 5.3371 |
| logSw: | -5.1737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.797 |
| InChI Key: | MNSWIMVZDMTCFW-UHFFFAOYSA-N |