6-{2-oxo-2-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
6-{2-oxo-2-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-{2-oxo-2-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0774 |
| Compound Name: | 6-{2-oxo-2-[2-(pyridin-3-yl)pyrrolidin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C25 H25 N5 O2 |
| Smiles: | C1Cc2c(cnc(c3ccccc3)n2)C(N(C1)CC(N1CCCC1c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7898 |
| logD: | 1.7897 |
| logSw: | -1.9617 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.937 |
| InChI Key: | YICZNVHBDVTVDE-QFIPXVFZSA-N |