ethyl 2-[(2,6-dimethyl-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-[(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E216-5004 |
| Compound Name: | ethyl 2-[(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CC(C)Oc2ccc(C)cc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3161 |
| logD: | 5.1466 |
| logSw: | -5.3423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.889 |
| InChI Key: | LQEOXECFTAQCDT-CQSZACIVSA-N |