(adamantan-1-yl)(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(adamantan-1-yl)(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)methanone
(adamantan-1-yl)(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-7875 |
| Compound Name: | (adamantan-1-yl)(2-methyl-4-{6-[(2-methylphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperazin-1-yl)methanone |
| Molecular Weight: | 515.72 |
| Molecular Formula: | C31 H37 N3 O2 S |
| Smiles: | CC1CN(CCN1C(C12CC3CC(CC(C3)C2)C1)=O)C(c1cc2ccsc2n1Cc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2236 |
| logD: | 7.2236 |
| logSw: | -5.8925 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.902 |
| InChI Key: | MUDRJQCVKKWNKY-PDAMRLRISA-N |