[2-(methanesulfonyl)-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-(methanesulfonyl)-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-(methanesulfonyl)-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: | S868-0409 |
| Compound Name: | [2-(methanesulfonyl)-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: | 418.52 |
| Molecular Formula: | C19 H26 N6 O3 S |
| Smiles: | CS(N1CCCn2c(C1)ccc2C(N1CCCN(CC1)c1ncccn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2005 |
| logD: | 1.2005 |
| logSw: | -2.2684 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.134 |
| InChI Key: | AEFGUPPUKMKKKQ-UHFFFAOYSA-N |