2-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]carbamoyl}benzoic acid
Chemical Structure Depiction of
2-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]carbamoyl}benzoic acid
2-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]carbamoyl}benzoic acid
Compound characteristics
| Compound ID: | 7571-0842 |
| Compound Name: | 2-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]carbamoyl}benzoic acid |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C19 H19 N O6 S |
| Smiles: | CC1(C)Cc2c(C(=O)OC)c(NC(c3ccccc3C(O)=O)=O)sc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8549 |
| logD: | -1.9603 |
| logSw: | -3.5089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.324 |
| InChI Key: | PMYXAVDNRORGCR-UHFFFAOYSA-N |