ethyl 4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E966-1451 |
| Compound Name: | ethyl 4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 440.94 |
| Molecular Formula: | C20 H25 Cl N2 O5 S |
| Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1c(C(=O)OCC)c(C)n(C)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1941 |
| logD: | 3.1941 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.167 |
| InChI Key: | SYJNAGQAORMTGL-OAHLLOKOSA-N |