1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-5797 |
| Compound Name: | 1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C27 H35 N3 O3 S |
| Smiles: | CCC1CN(C(N2CCC(CC2)C(NCCc2ccc(cc2)SC)=O)=O)c2cc(C)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7407 |
| logD: | 4.7407 |
| logSw: | -4.3986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.855 |
| InChI Key: | ODHDWUVSWCPWRY-JOCHJYFZSA-N |