1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide
Chemical Structure Depiction of
1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide
1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0359 |
| Compound Name: | 1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C26 H32 N4 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC(C1)C(Nc1cccc(CN3CCCC3)c1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6917 |
| logD: | -1.1565 |
| logSw: | -2.6618 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.343 |
| InChI Key: | FINUAUGWSQLHIH-FQEVSTJZSA-N |