methyl 5-({[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | G864-0159 |
| Compound Name: | methyl 5-({[3-(2-methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | COCCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8669 |
| logD: | 2.8669 |
| logSw: | -3.1526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.337 |
| InChI Key: | YDZNDWYSNJDABT-UHFFFAOYSA-N |