7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0342 |
| Compound Name: | 7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(CCC1CCCC1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3569 |
| logD: | 2.3562 |
| logSw: | -2.8834 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.045 |
| InChI Key: | WMVAYYQDGACRAJ-MRXNPFEDSA-N |