N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F822-0069 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | Cc1ccc(CNC(C2CCCN2S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4634 |
| logD: | 1.4631 |
| logSw: | -2.5961 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.47 |
| InChI Key: | WSZBXDQMPWEACE-SFHVURJKSA-N |