4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-(3-methylbutyl)benzamide
4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | G345-0692 |
| Compound Name: | 4-{[1-(cyanomethyl)-6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(c3cc(c(cc3N(CC#N)C2=O)OC)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1071 |
| logD: | 3.1071 |
| logSw: | -3.4538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.796 |
| InChI Key: | DLNLPIAXHJTHQA-UHFFFAOYSA-N |