4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | F537-0045 |
| Compound Name: | 4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6621 |
| logD: | 0.6619 |
| logSw: | -2.4938 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.732 |
| InChI Key: | WVSVEVSHMZBZBN-UHFFFAOYSA-N |