N-(5-chloro-2,4-dimethoxyphenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
Compound ID: | E146-0810 |
Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
Molecular Weight: | 402.85 |
Molecular Formula: | C19 H15 Cl N2 O4 S |
Smiles: | COc1cc(c(cc1NC(c1c2CSc3ccccc3c2on1)=O)[Cl])OC |
Stereo: | ACHIRAL |
logP: | 4.344 |
logD: | 4.2638 |
logSw: | -4.5074 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.974 |
InChI Key: | VMYHTPXGFJKADE-UHFFFAOYSA-N |