N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]propanamide
Chemical Structure Depiction of
N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]propanamide
N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]propanamide
Compound characteristics
| Compound ID: | P895-0340 |
| Compound Name: | N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]propanamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C18 H19 N3 O2 S |
| Smiles: | CCC(Nc1ccc2c(c1)Sc1c(cccn1)C(N2C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1212 |
| logD: | 3.1212 |
| logSw: | -3.5431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.595 |
| InChI Key: | ASQLVUZBQMVBRB-UHFFFAOYSA-N |