2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0390 |
| Compound Name: | 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H25 F N4 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3353 |
| logD: | 3.3353 |
| logSw: | -3.6103 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.531 |
| InChI Key: | VVRCOPMOCSACFE-UHFFFAOYSA-N |