methyl 4-{[rel-(5R,8S)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate
methyl 4-{[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | S572-0703 |
| Compound Name: | methyl 4-{[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]amino}benzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C24 H21 F N4 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1094 |
| logD: | 4.1094 |
| logSw: | -4.2171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.628 |
| InChI Key: | GBUMBMQJFRFVPL-RXVVDRJESA-N |