6-chloro-7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0583 |
| Compound Name: | 6-chloro-7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C23 H26 Cl N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.805 |
| logD: | 2.7834 |
| logSw: | -3.4408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.625 |
| InChI Key: | OTODQRYOTZBZAA-UHFFFAOYSA-N |