N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V013-0714 |
| Compound Name: | N-(2-{[2-(diethylamino)ethyl]amino}-2-oxoethyl)-5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C24 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)CCNC(CN(C)C(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.814 |
| logD: | -0.8182 |
| logSw: | -2.2297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.528 |
| InChI Key: | GVXGRYUIOSFJOG-UHFFFAOYSA-N |