N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | D437-0076 |
| Compound Name: | N-[4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | CCCC(Nc1nc(cs1)c1ccc2c(c1)N(C)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5791 |
| logD: | 2.5791 |
| logSw: | -3.1789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.03 |
| InChI Key: | JMFVSJOFMSFPFL-UHFFFAOYSA-N |