N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-0576 |
| Compound Name: | N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C24 H24 N2 O4 S |
| Smiles: | Cc1c(c2ccc(cc2)C(C)(C)C)c(C(N)=O)c(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6261 |
| logD: | 4.6205 |
| logSw: | -4.7368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.027 |
| InChI Key: | FCGJNTMCQYDBGT-UHFFFAOYSA-N |