N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide
N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | E737-0039 |
| Compound Name: | N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C30 H30 N4 O3 |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c1c1cc(C)ccc1n2C)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5209 |
| logD: | 4.5209 |
| logSw: | -4.3527 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.416 |
| InChI Key: | ZELVNWSRSFRDCX-UHFFFAOYSA-N |