N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | V005-3025 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C28 H37 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4489 |
| logD: | 4.4487 |
| logSw: | -4.2088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.697 |
| InChI Key: | MOHHYOKDFMGRDP-UHFFFAOYSA-N |