3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Chemical Structure Depiction of
3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0356 |
| Compound Name: | 3-methyl-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2319 |
| logD: | 3.2319 |
| logSw: | -3.5474 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.912 |
| InChI Key: | HAKTYJWLAGOZGP-UHFFFAOYSA-N |