1-{4-[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
1-{4-[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carbonyl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S868-0364 |
| Compound Name: | 1-{4-[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carbonyl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C17 H26 N4 O4 S |
| Smiles: | CC(N1CCCN(CC1)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0428 |
| logD: | 0.0428 |
| logSw: | -2.003 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.707 |
| InChI Key: | OKOFOYBEUPZRJK-UHFFFAOYSA-N |