2-{[4-(3-chloro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(3-chloro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
2-{[4-(3-chloro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | G373-2680 |
| Compound Name: | 2-{[4-(3-chloro-4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | Cc1ccc2c(c1)oc(CN1CCN(CC1)S(c1ccc(C)c(c1)[Cl])(=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3262 |
| logD: | 4.326 |
| logSw: | -4.4066 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | XFYZLNPLWWIGBF-UHFFFAOYSA-N |