2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3132 |
| Compound Name: | 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(CC(Nc3cccc(c3)SC)=O)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9511 |
| logD: | 4.9511 |
| logSw: | -4.6917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.04 |
| InChI Key: | GGYHSVZGQVQPBF-UHFFFAOYSA-N |