N-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(1,3-benzothiazol-2-yl)-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: | G786-1802 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-[(2-cyclopentyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C22 H22 N6 O3 S2 |
| Smiles: | CN1C(c2c(nc(C3CCCC3)nc2SCC(Nc2nc3ccccc3s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8027 |
| logD: | 4.8027 |
| logSw: | -4.6206 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.253 |
| InChI Key: | DIAFAEGAYFDTLI-UHFFFAOYSA-N |