N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | V025-6086 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanamido)benzamide |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C31 H35 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9113 |
| logD: | 4.9111 |
| logSw: | -4.5448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.953 |
| InChI Key: | IDWFNXUJJYVZPR-UHFFFAOYSA-N |