4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)butanamide
Chemical Structure Depiction of
4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)butanamide
4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)butanamide
Compound characteristics
| Compound ID: | G290-1253 |
| Compound Name: | 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)butanamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CC(C)Oc1ccc(CNC(CCCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8758 |
| logD: | 3.8758 |
| logSw: | -3.8957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.706 |
| InChI Key: | NQAVWKYUVDOIAG-UHFFFAOYSA-N |