2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
2-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0220 |
| Compound Name: | 2-{[4-(5-chloro-2-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(c1cc(ccc1OC)[Cl])(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.3774 |
| logD: | 3.3772 |
| logSw: | -3.6872 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.868 |
| InChI Key: | RZRFJXHXPOBCTK-UHFFFAOYSA-N |