1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-5610 |
| Compound Name: | 1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CCC1CN(C(N2CCC(CC2)C(NCc2ccc(cc2)SC)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0764 |
| logD: | 4.0764 |
| logSw: | -3.998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.013 |
| InChI Key: | MAVQESFPZBPOTK-HXUWFJFHSA-N |