2-[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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: | E213-0395 |
| Compound Name: | 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2886 |
| logD: | 3.2886 |
| logSw: | -3.5691 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.075 |
| InChI Key: | MRRPYNOXBCXJQD-UHFFFAOYSA-N |