N-(5-chloro-2-methoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-(5-chloro-2-methoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1166 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1NC(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7619 |
| logD: | 3.755 |
| logSw: | -4.1798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.513 |
| InChI Key: | GEOIHKCEQKHQEJ-UHFFFAOYSA-N |