methyl 5-{[(3-ethyl-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-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | G864-0071 |
| Compound Name: | methyl 5-{[(3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3459 |
| logD: | 3.3459 |
| logSw: | -3.4764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.741 |
| InChI Key: | NFIGFXJYWGTSHU-UHFFFAOYSA-N |