N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide
N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V025-6088 |
| Compound Name: | N-(3-{[(4-fluorophenyl)methyl]carbamoyl}-4-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C29 H33 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0213 |
| logD: | 5.021 |
| logSw: | -4.5831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.444 |
| InChI Key: | LMXATZVHTSQBAO-UHFFFAOYSA-N |