N-(3-chloro-4-methoxyphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-(3-chloro-4-methoxyphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0899 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2729 |
| logD: | 4.2708 |
| logSw: | -4.4555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.211 |
| InChI Key: | XUMVETVDSXSTFI-UHFFFAOYSA-N |