6-{4-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0018 |
| Compound Name: | 6-{4-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C25 H28 N4 O6 S |
| Smiles: | Cc1ccc(cc1C)N1CC(CC1=O)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8196 |
| logD: | 1.8194 |
| logSw: | -2.8302 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.426 |
| InChI Key: | IARRLVNNBIECPT-SFHVURJKSA-N |