N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G278-0200 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C21 H19 Br N2 O3 S |
| Smiles: | COc1ccc(cc1CNC(c1ccc(N2CCOc3ccccc23)s1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2795 |
| logD: | 5.2795 |
| logSw: | -5.1424 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.72 |
| InChI Key: | LUGJGNCZXSUGRS-UHFFFAOYSA-N |