N-[2-(4-chlorophenyl)ethyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
N-[2-(4-chlorophenyl)ethyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Compound characteristics
| Compound ID: | K906-1836 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H24 Cl N3 O5 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(NCCc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7654 |
| logD: | 2.7651 |
| logSw: | -3.809 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.233 |
| InChI Key: | PASNEMFULKTGJW-KRWDZBQOSA-N |