2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8680 |
| Compound Name: | 2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C30 H28 F N3 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0965 |
| logD: | 4.0965 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.837 |
| InChI Key: | AGOJZBLQFHDVDR-UHFFFAOYSA-N |