methyl 3-({4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K783-6513 |
| Compound Name: | methyl 3-({4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 458.98 |
| Molecular Formula: | C22 H19 Cl N2 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1ccc2c(c1)N(CCS2)Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9386 |
| logD: | 4.9129 |
| logSw: | -5.1005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.387 |
| InChI Key: | VBDGOKBNXOQIOK-UHFFFAOYSA-N |