6-chloro-2-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
6-chloro-2-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
6-chloro-2-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0285 |
| Compound Name: | 6-chloro-2-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C19 H20 Cl N3 O3 S |
| Smiles: | Cc1ccccc1S(N1CCN(CC1)Cc1nc2ccc(cc2o1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6092 |
| logD: | 3.6091 |
| logSw: | -3.7697 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | IMUHRDIRQWCZLK-UHFFFAOYSA-N |