6-chloro-4-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-4-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-4-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F897-0860 |
| Compound Name: | 6-chloro-4-{2-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C21 H26 Cl N5 O5 S |
| Smiles: | CCn1c(C)c(c(C)n1)S(N1CCN(CC1)C(CN1C(COc2ccc(cc12)[Cl])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3831 |
| logD: | 0.3831 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.258 |
| InChI Key: | NWYFJCMMGRCKLK-UHFFFAOYSA-N |