methyl 3-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E146-1028 |
| Compound Name: | methyl 3-[(4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C17 H12 N2 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1c2CSc3ccccc3c2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4635 |
| logD: | 3.2117 |
| logSw: | -3.9001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.905 |
| InChI Key: | MLEYDOKWAHLDSH-UHFFFAOYSA-N |