7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0090 |
| Compound Name: | 7-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C24 H29 N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCS(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5455 |
| logD: | 2.5452 |
| logSw: | -2.9415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.625 |
| InChI Key: | PDBQEVAIVHPGNM-UHFFFAOYSA-N |