5-tert-butyl-2-{[4-(thiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-tert-butyl-2-{[4-(thiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-tert-butyl-2-{[4-(thiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | G373-4139 |
| Compound Name: | 5-tert-butyl-2-{[4-(thiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(CN1CCN(CC1)S(c1cccs1)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.8914 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.256 |
| InChI Key: | VRCGYFNFQMFTEM-UHFFFAOYSA-N |