N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V030-3178 |
| Compound Name: | N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H32 N6 O3 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCCC(NCCN(C)C)=O)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.409 |
| logD: | -1.1365 |
| logSw: | -1.9456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.087 |
| InChI Key: | CLFNJPPVSJGUCO-UHFFFAOYSA-N |