N,N-diethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide
Chemical Structure Depiction of
N,N-diethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide
N,N-diethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide
Compound characteristics
| Compound ID: | L407-0326 |
| Compound Name: | N,N-diethyl-2-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,3-benzoxazole-5-carboxamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | CCN(CC)C(c1ccc2c(c1)nc(CN1CCN(CC1)C(Nc1cccc(c1)SC)=O)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8064 |
| logD: | 2.7971 |
| logSw: | -3.3187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.928 |
| InChI Key: | GSSAMBMCUAPFCU-UHFFFAOYSA-N |