2-(methanesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0402 |
| Compound Name: | 2-(methanesulfonyl)-N-[2-(pyridin-4-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CS(N1CCCn2c(C1)ccc2C(NCCc1ccncc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1931 |
| logD: | 0.1483 |
| logSw: | -1.9893 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.215 |
| InChI Key: | CRNPEGVKQFEEEY-UHFFFAOYSA-N |