N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | D715-1522 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | Cc1c(C(NCc2ccc3c(c2)OCO3)=O)nc(n2cccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5317 |
| logD: | 3.5317 |
| logSw: | -3.7886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.344 |
| InChI Key: | MPVDAERDUVUXAL-UHFFFAOYSA-N |