6-chloro-4-{2-oxo-2-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-4-{2-oxo-2-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-4-{2-oxo-2-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F897-0711 |
| Compound Name: | 6-chloro-4-{2-oxo-2-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C20 H24 Cl N5 O5 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCN(CC1)C(CN1C(COc2ccc(cc12)[Cl])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1556 |
| logD: | -0.1556 |
| logSw: | -2.6197 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.819 |
| InChI Key: | LZAYLWHMIIHVEV-UHFFFAOYSA-N |