7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0048 |
| Compound Name: | 7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(CCC1CCCC1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7708 |
| logD: | 1.7702 |
| logSw: | -2.6293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.706 |
| InChI Key: | IROMLBPWZVWNCD-UHFFFAOYSA-N |