2-(azepane-1-carbonyl)-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-1807 |
| Compound Name: | 2-(azepane-1-carbonyl)-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)C(C1C(Nc2cc(ccc2S1)S(Nc1cccc2CCCCc12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5035 |
| logD: | 4.4938 |
| logSw: | -4.2632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.968 |
| InChI Key: | OBUPFFHCGLNUBC-QHCPKHFHSA-N |