1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-methoxyphenyl)prolinamide
Chemical Structure Depiction of
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-methoxyphenyl)prolinamide
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-methoxyphenyl)prolinamide
Compound characteristics
| Compound ID: | F380-0027 |
| Compound Name: | 1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-methoxyphenyl)prolinamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1CCCC1C(Nc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9998 |
| logD: | 1.9997 |
| logSw: | -2.9229 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.425 |
| InChI Key: | KOVJSBWHTSCHIS-IBGZPJMESA-N |