2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-7314 |
| Compound Name: | 2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1cc(c2c(c1)nc(o2)SCC(N1CCCCC1)=O)n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3925 |
| logD: | 4.3925 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.989 |
| InChI Key: | JUEJFPRALVWKPY-UHFFFAOYSA-N |