ethyl 2-[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Chemical Structure Depiction of
ethyl 2-[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
ethyl 2-[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Compound characteristics
| Compound ID: | V016-3113 |
| Compound Name: | ethyl 2-[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C20 H21 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC1CC1)C(N2c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1173 |
| logD: | 3.1173 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.234 |
| InChI Key: | QBCDAKOHAJWJNJ-LBPRGKRZSA-N |