3-[4-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)piperazin-1-yl]propanenitrile
Chemical Structure Depiction of
3-[4-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)piperazin-1-yl]propanenitrile
3-[4-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)piperazin-1-yl]propanenitrile
Compound characteristics
| Compound ID: | P617-0475 |
| Compound Name: | 3-[4-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carbonyl)piperazin-1-yl]propanenitrile |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(N1CCN(CCC#N)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4202 |
| logD: | 1.4199 |
| logSw: | -2.3039 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.38 |
| InChI Key: | VBAONAPTRUJVEA-UHFFFAOYSA-N |