6-{2-oxo-2-[4-(propan-2-yl)piperazin-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-[4-(propan-2-yl)piperazin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0616 |
| Compound Name: | 6-{2-oxo-2-[4-(propan-2-yl)piperazin-1-yl]ethyl}-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | CC(C)N1CCN(CC1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.756 |
| logD: | 1.423 |
| logSw: | -2.3626 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.495 |
| InChI Key: | FMRBJYBEMQQVHM-UHFFFAOYSA-N |