N-[(2-methylphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-methylphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-[(2-methylphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1252 |
| Compound Name: | N-[(2-methylphenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | Cc1ccccc1CNC(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0972 |
| logD: | 4.0972 |
| logSw: | -4.143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | VUNZPORDNPAJCW-UHFFFAOYSA-N |