methyl 2-[(7-chloro-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(7-chloro-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(7-chloro-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-0295 |
| Compound Name: | methyl 2-[(7-chloro-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C22 H20 Cl N O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C3C=COc4ccc(cc4C=3)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.863 |
| logD: | 3.373 |
| logSw: | -6.2317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.843 |
| InChI Key: | KKSJSDJYTHSLAT-GFCCVEGCSA-N |