6-chloro-2-methyl-7-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-2-methyl-7-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-2-methyl-7-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0583 |
| Compound Name: | 6-chloro-2-methyl-7-[4-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C18 H20 Cl N5 O5 S |
| Smiles: | CC1C(Nc2cc(c(cc2O1)S(N1CCN(CC1)C(c1ccnn1C)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5893 |
| logD: | 0.52 |
| logSw: | -2.8339 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.664 |
| InChI Key: | XPAQTLHLOQTFFO-LLVKDONJSA-N |