methyl 4-{[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate
methyl 4-{[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | S572-0339 |
| Compound Name: | methyl 4-{[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(Nc2ccc(cc2)C(=O)OC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.14 |
| logD: | 2.14 |
| logSw: | -2.6091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.512 |
| InChI Key: | OVEZXFXWNMUZPF-PBHICJAKSA-N |