N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | G305-2139 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C17 H17 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(CCNS(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2184 |
| logD: | 2.1848 |
| logSw: | -2.9621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.405 |
| InChI Key: | NEKYFCMJMYJUME-UHFFFAOYSA-N |