N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0634 |
| Compound Name: | N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | Cc1c(CNC(CN2CCCc3c(cnc(c4ccccc4)n3)C2=O)=O)cn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.7156 |
| logD: | 1.7156 |
| logSw: | -2.5074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.978 |
| InChI Key: | PKKWQVMQZKOMJT-UHFFFAOYSA-N |