methyl 2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D731-0662 |
| Compound Name: | methyl 2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C21 H21 N O5 S |
| Smiles: | CC1(Cc2ccccc2C(=O)O1)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0782 |
| logD: | 1.103 |
| logSw: | -4.5002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.34 |
| InChI Key: | OERFMVUVFCFNPP-NRFANRHFSA-N |