2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | S529-0335 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}acetamide |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C21 H21 F3 N4 O3 |
| Smiles: | C1Cc2c(cnc(C3CC3)n2)C(N(C1)CC(NCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9094 |
| logD: | 2.9093 |
| logSw: | -3.4564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.17 |
| InChI Key: | OKFMXCDMQGIXNL-UHFFFAOYSA-N |