5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-6075 |
| Compound Name: | 5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C27 H38 N6 O4 |
| Salt: | not_available |
| Smiles: | COCCN(CCC(NCCN1CCCC1)=O)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4402 |
| logD: | -1.7154 |
| logSw: | -2.0106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.553 |
| InChI Key: | MRHAOJQBILZIIB-UHFFFAOYSA-N |