3-benzyl-8-methoxy-5-methyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-8-methoxy-5-methyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-8-methoxy-5-methyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C200-2219 |
| Compound Name: | 3-benzyl-8-methoxy-5-methyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C28 H23 N5 O3 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2c2cc(ccc12)OC)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9196 |
| logD: | 3.9196 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.972 |
| InChI Key: | IJNBTKGNVXOKMU-UHFFFAOYSA-N |