methyl 4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
| Compound ID: | K780-0659 |
| Compound Name: | methyl 4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| Molecular Weight: | 347.82 |
| Molecular Formula: | C17 H14 Cl N O3 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(CS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0379 |
| logD: | 4.0379 |
| logSw: | -4.4939 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.793 |
| InChI Key: | DBTYVJZRLMSGLU-UHFFFAOYSA-N |