6-methyl-4-(4-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-(4-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-(4-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | S544-1419 |
| Compound Name: | 6-methyl-4-(4-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-4-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C26 H32 N2 O4 |
| Smiles: | Cc1ccc(cc1)OCCC1CCN(C1)C(CCCN1C(COc2ccc(C)cc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8026 |
| logD: | 3.8026 |
| logSw: | -3.9389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.885 |
| InChI Key: | BVSWCQRVANUNMT-NRFANRHFSA-N |