N-ethyl-2-(methanesulfonyl)-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-ethyl-2-(methanesulfonyl)-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-ethyl-2-(methanesulfonyl)-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0410 |
| Compound Name: | N-ethyl-2-(methanesulfonyl)-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C20 H31 N5 O3 S |
| Smiles: | CCCn1c(CN(CC)C(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.411 |
| logD: | 1.411 |
| logSw: | -2.3003 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.964 |
| InChI Key: | NSHOMCNIFISGBU-UHFFFAOYSA-N |