methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-9976 |
| Compound Name: | methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 433.97 |
| Molecular Formula: | C21 H20 Cl N O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OC)c(NC(c3c(c4ccccc4s3)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3874 |
| logD: | 2.5166 |
| logSw: | -6.3781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.965 |
| InChI Key: | AGBDTGXSUDILQN-LLVKDONJSA-N |