N-[2-(4-chlorophenyl)ethyl]-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
N-[2-(4-chlorophenyl)ethyl]-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C562-1394 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-Nalpha-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 514 |
| Molecular Formula: | C25 H24 Cl N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(Cc1ccccc1)C(NCCc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5785 |
| logD: | 3.5783 |
| logSw: | -4.2998 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.961 |
| InChI Key: | HCVKVOFJKXCDHC-NRFANRHFSA-N |