N-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8282 |
| Compound Name: | N-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C16 H13 N3 O3 S2 |
| Smiles: | CNC(Cc1csc(NC(C2=Cc3ccccc3C(=O)S2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3076 |
| logD: | 2.297 |
| logSw: | -3.1364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.487 |
| InChI Key: | NCONXJBBKIMKEC-UHFFFAOYSA-N |