6-chloro-2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
6-chloro-2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
6-chloro-2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0330 |
| Compound Name: | 6-chloro-2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CCN(CC1)Cc1nc2ccc(cc2o1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1284 |
| logD: | 4.1283 |
| logSw: | -4.2517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | PTTBMKHUDFSZHM-UHFFFAOYSA-N |