2-(methanesulfonyl)-N-{3-[(propan-2-yl)oxy]propyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-{3-[(propan-2-yl)oxy]propyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-{3-[(propan-2-yl)oxy]propyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0448 |
| Compound Name: | 2-(methanesulfonyl)-N-{3-[(propan-2-yl)oxy]propyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C16 H27 N3 O4 S |
| Smiles: | CC(C)OCCCNC(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7824 |
| logD: | 0.7824 |
| logSw: | -2.2986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.26 |
| InChI Key: | JHMXKNYODDDITN-UHFFFAOYSA-N |