N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methoxybenzamido)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methoxybenzamido)phenyl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methoxybenzamido)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V009-4086 |
| Compound Name: | N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methoxybenzamido)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C32 H38 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2364 |
| logD: | 5.2296 |
| logSw: | -5.0572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.464 |
| InChI Key: | JAGFWLMBNCPJTD-UHFFFAOYSA-N |