4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | F128-0449 |
| Compound Name: | 4-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C18 H13 Cl F N3 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1=C(N)N(C(=S)S1)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4399 |
| logD: | 3.4399 |
| logSw: | -3.8391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.644 |
| InChI Key: | ALCQZEDQYSJZTH-UHFFFAOYSA-N |