6-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0880 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C22 H28 Cl F N4 O3 |
| Smiles: | CC(C)N1C(=CC(N(C(C)C)C1=O)=O)N1CCCN(CC1)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0478 |
| logD: | 3.0478 |
| logSw: | -3.4766 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.421 |
| InChI Key: | VPOLMYCUHPAVTI-UHFFFAOYSA-N |