N-{3-[(adamantan-1-yl)oxy]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[(adamantan-1-yl)oxy]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-{3-[(adamantan-1-yl)oxy]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | 8019-0138 |
| Compound Name: | N-{3-[(adamantan-1-yl)oxy]propyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | Cc1cc2c(cc1S(NCCCOC13CC4CC(CC(C4)C3)C1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5886 |
| logD: | 3.588 |
| logSw: | -3.8038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.369 |
| InChI Key: | CPHXPBCQMJRVQS-UHFFFAOYSA-N |