(adamantan-1-yl)(4-{6-[(3-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(adamantan-1-yl)(4-{6-[(3-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazin-1-yl)methanone
(adamantan-1-yl)(4-{6-[(3-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-0517 |
| Compound Name: | (adamantan-1-yl)(4-{6-[(3-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 519.68 |
| Molecular Formula: | C30 H34 F N3 O2 S |
| Smiles: | CC1CN(CCN1C(C12CC3CC(CC(C3)C2)C1)=O)C(c1cc2ccsc2n1Cc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5894 |
| logD: | 6.5894 |
| logSw: | -5.9833 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.902 |
| InChI Key: | XRJDNKCIURZSGM-OUOROKNTSA-N |