2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]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-[2-(cyclohex-1-en-1-yl)ethyl]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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-3126 |
| 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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C29 H32 N4 O4 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(CC(NCCC3CCCCC=3)=O)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2131 |
| logD: | 4.2131 |
| logSw: | -4.3715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.396 |
| InChI Key: | RAVQBEPGDSHKTG-UHFFFAOYSA-N |