7-(2,2-dimethylpropyl)-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(2,2-dimethylpropyl)-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(2,2-dimethylpropyl)-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1721 |
| Compound Name: | 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | CC(C)(C)Cc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0981 |
| logD: | 4.0981 |
| logSw: | -4.2986 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.699 |
| InChI Key: | YOAPALATVXCCER-UHFFFAOYSA-N |