N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0433 |
| Compound Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C16 H22 N4 O4 S |
| Smiles: | Cc1c(CNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 0.9619 |
| logD: | 0.9619 |
| logSw: | -2.326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.984 |
| InChI Key: | JPBPLAMQLOGOJH-UHFFFAOYSA-N |