2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(propan-2-yl)phenyl]acetamide
2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | S466-0498 |
| Compound Name: | 2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Smiles: | CC(C)c1cccc(c1)NC(Cn1c(C)cc2c1C(N1CCCCCC1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8366 |
| logD: | 3.8366 |
| logSw: | -3.7935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.432 |
| InChI Key: | PTWUCBHHXLLTRZ-UHFFFAOYSA-N |