N-[3-(methylsulfanyl)phenyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
N-[3-(methylsulfanyl)phenyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E667-1140 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanamide |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | CC(CC(Nc1cccc(c1)SC)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0095 |
| logD: | 2.0094 |
| logSw: | -2.9215 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | RJKIWEYKMMQKKR-LBPRGKRZSA-N |