N-{[4-(methylsulfanyl)phenyl]methyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0282 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H19 N3 O2 S2 |
| Smiles: | CSc1ccc(CNC(CN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9827 |
| logD: | 3.9827 |
| logSw: | -4.1484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.924 |
| InChI Key: | PDHNBBJRBIGCOI-UHFFFAOYSA-N |