N-(4,5-dimethyl-3-{[(pyridin-3-yl)methyl]carbamoyl}thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4,5-dimethyl-3-{[(pyridin-3-yl)methyl]carbamoyl}thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(4,5-dimethyl-3-{[(pyridin-3-yl)methyl]carbamoyl}thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-4444 |
| Compound Name: | N-(4,5-dimethyl-3-{[(pyridin-3-yl)methyl]carbamoyl}thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | Cc1c(C(NCc2cccnc2)=O)c(NC(c2ccc3c(c2)OCO3)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.818 |
| logD: | 1.8002 |
| logSw: | -3.1773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.171 |
| InChI Key: | OWGAFVBRUSICRR-UHFFFAOYSA-N |