1,3,7-trimethyl-10-(4-methylphenyl)-12-propyl-9,10-dihydro-1H-pyrimido[5',4':5,6][1,3]diazepino[2,1-f]purine-2,4,8,11(3H,6H,7H,12H)-tetrone
Chemical Structure Depiction of
1,3,7-trimethyl-10-(4-methylphenyl)-12-propyl-9,10-dihydro-1H-pyrimido[5',4':5,6][1,3]diazepino[2,1-f]purine-2,4,8,11(3H,6H,7H,12H)-tetrone
1,3,7-trimethyl-10-(4-methylphenyl)-12-propyl-9,10-dihydro-1H-pyrimido[5',4':5,6][1,3]diazepino[2,1-f]purine-2,4,8,11(3H,6H,7H,12H)-tetrone
Compound characteristics
| Compound ID: | 8019-7539 |
| Compound Name: | 1,3,7-trimethyl-10-(4-methylphenyl)-12-propyl-9,10-dihydro-1H-pyrimido[5',4':5,6][1,3]diazepino[2,1-f]purine-2,4,8,11(3H,6H,7H,12H)-tetrone |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C24 H27 N7 O4 |
| Smiles: | CCCN1C(C2C(c3ccc(C)cc3)NC(N(C)C=2Cn2c3C(N(C)C(N(C)c3nc12)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6202 |
| logD: | 2.5964 |
| logSw: | -2.9172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.666 |
| InChI Key: | VGKYMRNBMVHXNK-KRWDZBQOSA-N |