3-{[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C200-2226 |
| Compound Name: | 3-{[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2c2cc(ccc12)OC)SCc1cc(C=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0328 |
| logD: | 5.0328 |
| logSw: | -4.8316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.776 |
| InChI Key: | POZBBBIVSNSZJA-UHFFFAOYSA-N |