5,6,8,9-tetrahydrospiro[cyclohepta[d]pyrimidine-7,2'-[1,3]dioxolan]-4(3H)-one
Chemical Structure Depiction of
5,6,8,9-tetrahydrospiro[cyclohepta[d]pyrimidine-7,2'-[1,3]dioxolan]-4(3H)-one
5,6,8,9-tetrahydrospiro[cyclohepta[d]pyrimidine-7,2'-[1,3]dioxolan]-4(3H)-one
Compound characteristics
| Compound ID: | FF20-0290 |
| Compound Name: | 5,6,8,9-tetrahydrospiro[cyclohepta[d]pyrimidine-7,2'-[1,3]dioxolan]-4(3H)-one |
| Molecular Weight: | 222.24 |
| Molecular Formula: | C11 H14 N2 O3 |
| Smiles: | C1CC2(CCC3=C1C(NC=N3)=O)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | -0.0029 |
| logD: | -0.0136 |
| logSw: | -0.9211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.673 |
| InChI Key: | NMTYPHZBSPTTML-UHFFFAOYSA-N |