N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
Compound characteristics
| Compound ID: | D038-1042 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C26 H32 N2 O4 S |
| Smiles: | CC(C)c1ccc2c(c1)c(CC(N(Cc1ccc(cc1)N(C)C)C1CCS(C1)(=O)=O)=O)co2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7513 |
| logD: | 3.7359 |
| logSw: | -3.9361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.697 |
| InChI Key: | XKDMXTPRWIADHJ-HSZRJFAPSA-N |