methyl 5-({[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-1379 |
| Compound Name: | methyl 5-({[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | COC(c1ccc(CSC2=Nc3c4ccccc4[nH]c3C(N2CC=C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5319 |
| logD: | 3.5319 |
| logSw: | -3.813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.994 |
| InChI Key: | SSFOLOMWTNDATM-UHFFFAOYSA-N |