N-[(2-chlorophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-[(2-chlorophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
Compound ID: | G290-1088 |
Compound Name: | N-[(2-chlorophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
Molecular Weight: | 437.95 |
Molecular Formula: | C23 H20 Cl N3 O2 S |
Smiles: | C(CC(NCc1ccccc1[Cl])=O)CN1C(c2cccnc2Sc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 3.9913 |
logD: | 3.9913 |
logSw: | -4.3831 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.903 |
InChI Key: | JUMDCPCNDMKGFU-UHFFFAOYSA-N |