(1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidin-4-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidin-4-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
(1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidin-4-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C779-1787C |
| Compound Name: | (1-{4-[(4-chlorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}piperidin-4-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 521.51 |
| Molecular Formula: | C25 H29 Cl N4 O2 S |
| Salt: | HCl |
| Smiles: | CN1CCN(CC1)C(C1CCN(CC1)C(c1cc2c(ccs2)n1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5424 |
| logD: | 3.1944 |
| logSw: | -3.8887 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.484 |
| InChI Key: | CMSHAHFGLMYFLR-UHFFFAOYSA-N |