2-{[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
2-{[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0218 |
| Compound Name: | 2-{[4-(3,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(CN1CCN(CC1)S(c1ccc(C)c(C)c1)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.1227 |
| logD: | 4.1226 |
| logSw: | -4.0804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | YWDRWEVLUWCQAZ-UHFFFAOYSA-N |