N-[(4-methoxyphenyl)methyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[(4-methoxyphenyl)methyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0953 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C19 H21 N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(NCc1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4392 |
| logD: | 1.4391 |
| logSw: | -2.6021 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.719 |
| InChI Key: | KQLCRPZSZJCDDX-UHFFFAOYSA-N |