ethyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-1357 |
| Compound Name: | ethyl 4-(2-{[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CCOC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4089 |
| logD: | 3.4088 |
| logSw: | -3.5856 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.225 |
| InChI Key: | ITHGNICECQULTH-UHFFFAOYSA-N |