ethyl 4-{[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
ethyl 4-{[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L305-0100 |
| Compound Name: | ethyl 4-{[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl]amino}benzoate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NS(c1ccc2c(c1)NC(C(C(N1CCCC1)=O)S2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2892 |
| logD: | 2.7049 |
| logSw: | -3.6701 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.534 |
| InChI Key: | RHCMWEXGDCQUKR-IBGZPJMESA-N |