N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | E245-0515 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | Cc1cc2c(cc1S(NCCN1CCN(CC1)Cc1ccccc1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5704 |
| logD: | 1.4313 |
| logSw: | -2.6142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.631 |
| InChI Key: | XHCAIAMSHWLNAL-UHFFFAOYSA-N |