2-cyclopentyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
Chemical Structure Depiction of
2-cyclopentyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
2-cyclopentyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | S896-0563 |
| Compound Name: | 2-cyclopentyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | COc1ccc(CCNc2c3CCOCCc3nc(C3CCCC3)n2)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7554 |
| logD: | 4.5947 |
| logSw: | -4.5358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.647 |
| InChI Key: | OWHUNRPMDJJQAZ-UHFFFAOYSA-N |