N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-4438 |
| Compound Name: | N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | C1CCc2c(C1)c(C(NCc1ccco1)=O)c(NC(c1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.254 |
| logD: | 3.2733 |
| logSw: | -4.5224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.322 |
| InChI Key: | BQTOYYBCAABKMG-UHFFFAOYSA-N |