6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0505 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C19 H22 N4 O5 |
| Smiles: | CN1C(=CC(N(C)C1=O)=O)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0415 |
| logD: | 1.0415 |
| logSw: | -1.9316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.627 |
| InChI Key: | JLDDLHRVLWTYJE-UHFFFAOYSA-N |