7-butyl-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-butyl-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-butyl-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: | G786-1779 |
| Compound Name: | 7-butyl-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: | 482.6 |
| Molecular Formula: | C24 H30 N6 O3 S |
| Smiles: | CCCCc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7633 |
| logD: | 3.7633 |
| logSw: | -3.945 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.699 |
| InChI Key: | JPJZNWRHNJIDJX-UHFFFAOYSA-N |