methyl 2-[2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)acetamido]benzoate
methyl 2-[2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C200-3251 |
| Compound Name: | methyl 2-[2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)acetamido]benzoate |
| Molecular Weight: | 510.55 |
| Molecular Formula: | C29 H26 N4 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C(N1CC(Nc1ccccc1C(=O)OC)=O)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 4.6444 |
| logD: | 4.632 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.973 |
| InChI Key: | LUHFNALCZIHRSF-UHFFFAOYSA-N |