N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | IB06-8421 |
| Compound Name: | N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCCCC1)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7 |
| logD: | 3.35 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.55 |
| InChI Key: | VJQKMLHMSPVINZ-UHFFFAOYSA-N |