2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]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-[(propan-2-yl)oxy]phenyl}methyl)acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Compound characteristics
| Compound ID: | S529-0398 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC(C)Oc1ccc(CNC(CN2CCCc3c(cnc(C4CC4)n3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3847 |
| logD: | 2.3846 |
| logSw: | -2.8341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.036 |
| InChI Key: | IJAXXWQLHABWOC-UHFFFAOYSA-N |