4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | K286-4123 |
| Compound Name: | 4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C19 H17 N3 O3 S2 |
| Smiles: | Cc1ccccc1N1C(=C(C(NCc2ccc3c(c2)OCO3)=O)SC1=S)N |
| Stereo: | ACHIRAL |
| logP: | 3.2732 |
| logD: | 3.2732 |
| logSw: | -3.5534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.342 |
| InChI Key: | BGQBVICAEZUACU-UHFFFAOYSA-N |