N-{3-(diethylcarbamoyl)-4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{3-(diethylcarbamoyl)-4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl}thiophene-2-carboxamide
N-{3-(diethylcarbamoyl)-4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V005-0573 |
| Compound Name: | N-{3-(diethylcarbamoyl)-4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C28 H31 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(c1cccc(c1)F)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0409 |
| logD: | 4.0408 |
| logSw: | -4.0743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.219 |
| InChI Key: | LGUWMNHCEWGZIS-UHFFFAOYSA-N |