4-[4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | F536-0339 |
| Compound Name: | 4-[4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4336 |
| logD: | 1.433 |
| logSw: | -2.4861 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.07 |
| InChI Key: | QSTDSVUIJQTQPW-OAHLLOKOSA-N |