2-benzyl-N-butyl-N-(1-ethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-butyl-N-(1-ethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-butyl-N-(1-ethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0140 |
| Compound Name: | 2-benzyl-N-butyl-N-(1-ethylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 436.64 |
| Molecular Formula: | C27 H40 N4 O |
| Smiles: | CCCCN(C1CCN(CC)CC1)C(c1ccc2CN(CCCn12)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4471 |
| logD: | 2.2071 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.7609 |
| InChI Key: | ZMUGLTHJGWQQHS-UHFFFAOYSA-N |