4-tert-butyl-N-{3-[(pyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{3-[(pyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide
4-tert-butyl-N-{3-[(pyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide
Compound characteristics
| Compound ID: | 4052-2732 |
| Compound Name: | 4-tert-butyl-N-{3-[(pyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide |
| Molecular Weight: | 396.59 |
| Molecular Formula: | C24 H32 N2 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1c(CN2CCCC2)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0321 |
| logD: | 1.8044 |
| logSw: | -5.2985 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1431 |
| InChI Key: | JXXAPGBVNABPQG-UHFFFAOYSA-N |