7-cyclopentyl-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-cyclopentyl-1,3-dimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-cyclopentyl-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: | G786-1789 |
| Compound Name: | 7-cyclopentyl-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: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(N2CCN(CC2)c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9312 |
| logD: | 3.9312 |
| logSw: | -4.0168 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.995 |
| InChI Key: | VQCRXJHBKMKJEG-UHFFFAOYSA-N |