ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanoyl]piperazine-1-carboxylate
ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E667-1283 |
| Compound Name: | ethyl 4-[3-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)butanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C20 H27 N3 O7 S |
| Smiles: | CCOC(N1CCN(CC1)C(CC(C)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6474 |
| logD: | 0.6472 |
| logSw: | -2.344 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.182 |
| InChI Key: | VEMSRHZCRKJLKC-AWEZNQCLSA-N |