N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
Chemical Structure Depiction of
N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide
Compound characteristics
| Compound ID: | V025-1713 |
| Compound Name: | N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(3-methylbutanamido)benzamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C28 H37 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(c1ccccc1F)=O)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0234 |
| logD: | 4.0233 |
| logSw: | -4.1077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.259 |
| InChI Key: | XTKJBHUDOPVRFX-UHFFFAOYSA-N |