N-(3-acetylphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-(3-acetylphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
Compound ID: | F632-0123 |
Compound Name: | N-(3-acetylphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
Molecular Weight: | 457.5 |
Molecular Formula: | C22 H23 N3 O6 S |
Smiles: | CC(c1cccc(c1)NC(C1CCCN1S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.3975 |
logD: | 1.3951 |
logSw: | -2.4511 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.974 |
InChI Key: | MZCJNERZBMACRH-SFHVURJKSA-N |