N-[(5-bromo-2-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0960 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C23 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3558 |
| logD: | 4.3558 |
| logSw: | -4.2024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.533 |
| InChI Key: | VTGQLNUSXQYZLT-UHFFFAOYSA-N |