3-methyl-2-[3-methyl-4-(4-methylphenyl)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-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
3-methyl-2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0397 |
| Compound Name: | 3-methyl-2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9227 |
| logD: | 3.9225 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.749 |
| InChI Key: | RSUMDIBIUSQEOP-KRWDZBQOSA-N |