4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F874-0787 |
| Compound Name: | 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C20 H21 Cl N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8676 |
| logD: | 3.8583 |
| logSw: | -4.2067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.995 |
| InChI Key: | DMJHJABKDWRASJ-UHFFFAOYSA-N |