N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2148 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | COc1cccc(CNC(CCNS(c2ccc3c(c2)OC(N3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.555 |
| logD: | 1.5214 |
| logSw: | -2.2897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.271 |
| InChI Key: | YRNCXOULLPQEAB-UHFFFAOYSA-N |