methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | F394-0112 |
| Compound Name: | methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C28 H24 N4 O5 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0301 |
| logD: | 4.0298 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.795 |
| InChI Key: | ZNJXIUVGOWQEDI-UHFFFAOYSA-N |