N-[3-(azepan-1-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[3-(azepan-1-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1132 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCCCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1917 |
| logD: | -0.4369 |
| logSw: | -2.7668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.602 |
| InChI Key: | YAHVDVXULDBOCU-UHFFFAOYSA-N |