5-[(4-fluorophenyl)methyl]-N-[3-(4-methoxyanilino)-3-oxopropyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-N-[3-(4-methoxyanilino)-3-oxopropyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-fluorophenyl)methyl]-N-[3-(4-methoxyanilino)-3-oxopropyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V018-4840 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-N-[3-(4-methoxyanilino)-3-oxopropyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C25 H26 F N5 O4 |
| Smiles: | COc1ccc(cc1)NC(CCNC(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8967 |
| logD: | 1.8967 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.33 |
| InChI Key: | AGHJAZFYMVSFRM-UHFFFAOYSA-N |