2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | S529-0620 |
| Compound Name: | 2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | C1CCN(C1)CCCNC(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5099 |
| logD: | -1.5806 |
| logSw: | -2.2623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.9 |
| InChI Key: | GFDIYODSLVRVAB-UHFFFAOYSA-N |