3-{4-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]piperazin-1-yl}propanenitrile
Chemical Structure Depiction of
3-{4-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]piperazin-1-yl}propanenitrile
3-{4-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]piperazin-1-yl}propanenitrile
Compound characteristics
| Compound ID: | P617-0608 |
| Compound Name: | 3-{4-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl]piperazin-1-yl}propanenitrile |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(N1CCN(CCC#N)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.666 |
| logD: | 1.6657 |
| logSw: | -2.4438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.376 |
| InChI Key: | CGKRUKTXJYHWBJ-UHFFFAOYSA-N |