N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9447 |
| Compound Name: | N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C29 H34 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4467 |
| logD: | 4.4399 |
| logSw: | -4.2707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.498 |
| InChI Key: | XFPMIRVKXODBMZ-UHFFFAOYSA-N |