8-methoxy-3-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C200-2834 |
| Compound Name: | 8-methoxy-3-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | Cc1ccccc1CSC1=Nc2c3cc(ccc3[nH]c2C(N1C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.178 |
| logD: | 4.178 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.31 |
| InChI Key: | IYIATWQWTXCKNN-UHFFFAOYSA-N |