N-[2-(4-chlorophenyl)ethyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[2-(4-chlorophenyl)ethyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C697-0924 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C19 H20 Cl N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(NCCc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8263 |
| logD: | 1.8262 |
| logSw: | -3.1034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.017 |
| InChI Key: | LZKBBOSUTZIOTG-UHFFFAOYSA-N |