5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1,2-oxazole-3-carboxamide
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1372 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C26 H28 N2 O6 S |
| Smiles: | CC(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(c2cc(c3ccc4c(c3)OCCO4)on2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0514 |
| logD: | 3.0514 |
| logSw: | -3.3445 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.218 |
| InChI Key: | GIXFYIPRYHKQSW-OAQYLSRUSA-N |