methyl 2-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamido]benzoate
methyl 2-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | G290-0828 |
| Compound Name: | methyl 2-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamido]benzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4868 |
| logD: | 3.3909 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.057 |
| InChI Key: | ZFPJWVAAWBAGOW-UHFFFAOYSA-N |