N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1037 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C21 H14 N2 O4 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1c2CSc3ccccc3c2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8092 |
| logD: | 3.8067 |
| logSw: | -4.1164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.818 |
| InChI Key: | DHQBEEBCEVEQIR-UHFFFAOYSA-N |