ethyl 2-[(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E216-5180 |
| Compound Name: | ethyl 2-[(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C22 H25 Cl N2 O4 S |
| Smiles: | CCC1CN(C(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8214 |
| logD: | 4.4638 |
| logSw: | -6.0899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.084 |
| InChI Key: | KCDGYCWALCUSAR-CQSZACIVSA-N |