2-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-[4-(5-chloro-2-methylphenyl)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: | E213-0459 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4673 |
| logD: | 4.4673 |
| logSw: | -4.8201 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.23 |
| InChI Key: | OPIGUYXVHNFWQJ-UHFFFAOYSA-N |