2-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-[4-(3-chlorophenyl)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: | E213-0354 |
| Compound Name: | 2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7683 |
| logD: | 3.7683 |
| logSw: | -4.4795 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.531 |
| InChI Key: | DXTSYCTZQQBGSI-UHFFFAOYSA-N |