N-[(2-chlorophenyl)methyl]-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
N-[(2-chlorophenyl)methyl]-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G786-1806 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.98 |
| Molecular Formula: | C22 H24 Cl N5 O3 S |
| Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(NCc2ccccc2[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4964 |
| logD: | 4.4964 |
| logSw: | -4.7295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.813 |
| InChI Key: | CMOHMJNSTHRXJQ-UHFFFAOYSA-N |