N-[(3-chlorophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-[(3-chlorophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0340 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C22 H18 Cl N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2Sc2c1cccn2)=O)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8943 |
| logD: | 3.8943 |
| logSw: | -4.3344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | VBRCPNBTMFWWMR-UHFFFAOYSA-N |