ethyl N-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
ethyl N-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S572-0360 |
| Compound Name: | ethyl N-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CCOC(CCNC(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8691 |
| logD: | 0.8691 |
| logSw: | -1.8152 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.932 |
| InChI Key: | YPIPAVVMEMDAGU-RISCZKNCSA-N |