ethyl 2-[(6-chloro-2-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-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E216-5060 |
| Compound Name: | ethyl 2-[(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C21 H23 Cl N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CC(C)Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4407 |
| logD: | 4.0832 |
| logSw: | -6.0305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.889 |
| InChI Key: | NMSXTRRTKJTHJT-GFCCVEGCSA-N |