N-(4-fluorophenyl)-2-{[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl}morpholine-4-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl}morpholine-4-carbothioamide
N-(4-fluorophenyl)-2-{[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl}morpholine-4-carbothioamide
Compound characteristics
| Compound ID: | V024-3746 |
| Compound Name: | N-(4-fluorophenyl)-2-{[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl}morpholine-4-carbothioamide |
| Molecular Weight: | 506.64 |
| Molecular Formula: | C28 H31 F N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc2ccccc2c1)=O)CC1CN(CCO1)C(Nc1ccc(cc1)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0215 |
| logD: | 3.9907 |
| logSw: | -4.1362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.415 |
| InChI Key: | WESLBEGSEBDQIN-SANMLTNESA-N |