ethyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E511-1300 |
| Compound Name: | ethyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C19 H25 N3 O6 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CCS(c1ccc2c(c1)NC(C(C)S2)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0514 |
| logD: | 1.0514 |
| logSw: | -2.4666 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.053 |
| InChI Key: | VNFLQLBJOXLBEI-CYBMUJFWSA-N |