2-{[4-(3-chloro-4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(3-chloro-4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
2-{[4-(3-chloro-4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0221 |
| Compound Name: | 2-{[4-(3-chloro-4-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C20 H22 Cl N3 O4 S |
| Smiles: | Cc1ccc2c(c1)nc(CN1CCN(CC1)S(c1ccc(c(c1)[Cl])OC)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.3742 |
| logD: | 3.3741 |
| logSw: | -3.578 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.868 |
| InChI Key: | PPEYLTBZVPDSFP-UHFFFAOYSA-N |