ethyl 2-[(6-methyl-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-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E216-4892 |
| Compound Name: | ethyl 2-[(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CCOc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0034 |
| logD: | 4.8339 |
| logSw: | -4.6886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.792 |
| InChI Key: | MYHACUOGMFWEEF-UHFFFAOYSA-N |