10-(4-ethoxyphenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
10-(4-ethoxyphenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethoxyphenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-0995 |
| Compound Name: | 10-(4-ethoxyphenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(N(CC=C)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4751 |
| logD: | 3.475 |
| logSw: | -3.3745 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.487 |
| InChI Key: | UBIQAPLYCDMHPM-UHFFFAOYSA-N |