4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | F128-0530 |
| Compound Name: | 4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | COc1ccc(c(c1)N1C(=C(C(NCc2ccc3c(c2)OCO3)=O)SC1=S)N)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0376 |
| logD: | 3.0376 |
| logSw: | -3.4836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.517 |
| InChI Key: | NLBUAXBHVVDADT-UHFFFAOYSA-N |