N-[3-(butylsulfanyl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[3-(butylsulfanyl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0196 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C21 H25 N3 O2 S2 |
| Smiles: | CCCCSCCCNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5704 |
| logD: | 3.5704 |
| logSw: | -3.8118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.038 |
| InChI Key: | VLYJRHVLHHRTBP-UHFFFAOYSA-N |