N-(5-benzyl-3-carbamoylthiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(5-benzyl-3-carbamoylthiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(5-benzyl-3-carbamoylthiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-4439 |
| Compound Name: | N-(5-benzyl-3-carbamoylthiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | C(c1ccccc1)c1cc(C(N)=O)c(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2553 |
| logD: | 3.218 |
| logSw: | -3.6127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.027 |
| InChI Key: | XWBVQPQOOYFADW-UHFFFAOYSA-N |