[2-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
[2-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
[2-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | S868-0458 |
| Compound Name: | [2-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 382.51 |
| Molecular Formula: | C21 H30 N6 O |
| Smiles: | CC(C)N1CCCn2c(C1)ccc2C(N1CCCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4453 |
| logD: | 1.7839 |
| logSw: | -2.4605 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.716 |
| InChI Key: | WRFYEDZYXNYRMU-UHFFFAOYSA-N |