N-[(oxolan-2-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-[(oxolan-2-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(oxolan-2-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: | S529-0760 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | C1Cc2c(cnc(c3ccccc3)n2)C(N(C1)CC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.186 |
| logD: | 1.186 |
| logSw: | -2.2802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.364 |
| InChI Key: | XSMUFGHQZPVQKQ-MRXNPFEDSA-N |