5,11-bis(4-methylbenzene-1-sulfonyl)-13-[2-(piperidin-1-yl)ethyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocine
Chemical Structure Depiction of
5,11-bis(4-methylbenzene-1-sulfonyl)-13-[2-(piperidin-1-yl)ethyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocine
5,11-bis(4-methylbenzene-1-sulfonyl)-13-[2-(piperidin-1-yl)ethyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocine
Compound characteristics
| Compound ID: | 3824-0079 |
| Compound Name: | 5,11-bis(4-methylbenzene-1-sulfonyl)-13-[2-(piperidin-1-yl)ethyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocine |
| Molecular Weight: | 642.84 |
| Molecular Formula: | C35 H38 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(N1C2c3ccccc3N(C(c3ccccc13)N2CCN1CCCCC1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.168 |
| logD: | 4.7458 |
| logSw: | -5.7087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.284 |
| InChI Key: | HPULNMZDQGVCAS-UHFFFAOYSA-N |