(2-benzyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2-benzyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
(2-benzyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | S868-0121 |
| Compound Name: | (2-benzyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 416.53 |
| Molecular Formula: | C24 H28 N6 O |
| Smiles: | C1CN(Cc2ccccc2)Cc2ccc(C(N3CCN(CC3)c3ncccn3)=O)n2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.9351 |
| logD: | 2.8888 |
| logSw: | -2.9754 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.061 |
| InChI Key: | YVTYPAPASIJTRP-UHFFFAOYSA-N |