6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0195 |
| Compound Name: | 6-chloro-7-[4-(3-cyclopentylpropanoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C20 H26 Cl N3 O5 S |
| Smiles: | C1CCC(C1)CCC(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0302 |
| logD: | 1.9717 |
| logSw: | -2.9807 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.706 |
| InChI Key: | NHKFTHBVZYCVRN-UHFFFAOYSA-N |