ethyl 2-[3-(3-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Chemical Structure Depiction of
ethyl 2-[3-(3-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
ethyl 2-[3-(3-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Compound characteristics
| Compound ID: | V023-7058 |
| Compound Name: | ethyl 2-[3-(3-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate |
| Molecular Weight: | 402.84 |
| Molecular Formula: | C19 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC=C)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7928 |
| logD: | 2.7928 |
| logSw: | -3.2087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.961 |
| InChI Key: | KRJSQVNPWCQYKY-LBPRGKRZSA-N |