6-{4-[(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{4-[(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-{4-[(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0888 |
| Compound Name: | 6-{4-[(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H35 N5 O5 |
| Smiles: | CC(C)N1C(=CC(N(C(C)C)C1=O)=O)N1CCCN(CC1)C(CN1C(C(C)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.054 |
| logD: | 2.054 |
| logSw: | -2.4528 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.999 |
| InChI Key: | HSHKSJGUPQZUBB-LJQANCHMSA-N |