N-[3-(butylsulfanyl)propyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[3-(butylsulfanyl)propyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0964 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 429.6 |
| Molecular Formula: | C22 H27 N3 O2 S2 |
| Smiles: | CCCCSCCCNC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7695 |
| logD: | 3.7695 |
| logSw: | -3.8532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.016 |
| InChI Key: | LKQKFDNPUYAPSC-UHFFFAOYSA-N |