methyl 2-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J031-0549 |
| Compound Name: | methyl 2-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | Cc1cc2c(cc1C(Nc1c(C(=O)OC)c3CCCCc3s1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.6129 |
| logD: | 0.3513 |
| logSw: | -3.9957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.373 |
| InChI Key: | GONCPBMQQKKRGB-UHFFFAOYSA-N |