6,8-dimethyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
6,8-dimethyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1708 |
| Compound Name: | 6,8-dimethyl-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 480.58 |
| Molecular Formula: | C26 H28 N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1802 |
| logD: | 2.4577 |
| logSw: | -4.4111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.615 |
| InChI Key: | UNPQSJVMNCUPSA-MRXNPFEDSA-N |