6-methyl-7-[4-(phenoxyacetyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-7-[4-(phenoxyacetyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-methyl-7-[4-(phenoxyacetyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0129 |
| Compound Name: | 6-methyl-7-[4-(phenoxyacetyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(COc1ccccc1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9457 |
| logD: | 0.9452 |
| logSw: | -2.4343 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.647 |
| InChI Key: | XPNKRIQDNBPQNE-UHFFFAOYSA-N |