N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C697-1019 |
| Compound Name: | N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C18 H19 N3 O5 S2 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NCCC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2175 |
| logD: | 2.2174 |
| logSw: | -3.1086 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.853 |
| InChI Key: | VFUOYMINGLQBSZ-UHFFFAOYSA-N |