N-[3-(4-benzylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide
N-[3-(4-benzylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | 3261-0814 |
| Compound Name: | N-[3-(4-benzylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C29 H33 N3 O2 S |
| Smiles: | Cc1cccc(c1)C(Nc1c(C(N2CCN(CC2)Cc2ccccc2)=O)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3741 |
| logD: | 2.1958 |
| logSw: | -5.2967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.564 |
| InChI Key: | HQUVKCWSSZSAFU-UHFFFAOYSA-N |