1-[(4-methoxyphenyl)methyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[(4-methoxyphenyl)methyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0140 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C21 H16 N4 O3 |
| Smiles: | CC1C=CC2=NC3=C(C=C(C#N)C(N3Cc3ccc(cc3)OC)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1761 |
| logD: | 2.1756 |
| logSw: | -2.4247 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.693 |
| InChI Key: | WYBVHHUFPXMDME-UHFFFAOYSA-N |