methyl 5-({[3-(3-chlorophenyl)-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-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-1230 |
| Compound Name: | methyl 5-({[3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C23 H16 Cl N3 O4 S |
| Smiles: | COC(c1ccc(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7469 |
| logD: | 4.7469 |
| logSw: | -4.8935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.133 |
| InChI Key: | WCFSQBKLDRAHII-UHFFFAOYSA-N |