6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0845 |
| Compound Name: | 6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C22 H29 Cl N4 O3 |
| Smiles: | CC(C)N1C(=CC(N(C(C)C)C1=O)=O)N1CCCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0059 |
| logD: | 3.0059 |
| logSw: | -3.6061 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.421 |
| InChI Key: | YXKDJVAQJUNGRY-UHFFFAOYSA-N |