4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(thiophene-2-carbonyl)amino]phenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(thiophene-2-carbonyl)amino]phenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(thiophene-2-carbonyl)amino]phenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9480 |
| Compound Name: | 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(thiophene-2-carbonyl)amino]phenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 585.7 |
| Molecular Formula: | C32 H32 F N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8439 |
| logD: | 5.842 |
| logSw: | -5.4593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.521 |
| InChI Key: | XJTVSUHDJCZDSU-UHFFFAOYSA-N |