methyl 2-[2-({3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K263-0435 |
| Compound Name: | methyl 2-[2-({3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C27 H28 N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2c3ccccc3sc2C(N1CCCN1CCOCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4395 |
| logD: | 3.3482 |
| logSw: | -3.7416 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.761 |
| InChI Key: | CVBRTXPRDUWVGE-UHFFFAOYSA-N |