N-[(4-tert-butylphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(4-tert-butylphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(4-tert-butylphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1571 |
| Compound Name: | N-[(4-tert-butylphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C27 H31 N O5 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(C(N(Cc1ccc(cc1)C(C)(C)C)C1CCS(C1)(=O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8324 |
| logD: | 4.8324 |
| logSw: | -4.6448 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | OHWSWVASYSSUAZ-OAQYLSRUSA-N |