2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-(4-fluorophenyl)morpholine-4-carbothioamide
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-(4-fluorophenyl)morpholine-4-carbothioamide
2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-(4-fluorophenyl)morpholine-4-carbothioamide
Compound characteristics
| Compound ID: | V019-2493 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-N-(4-fluorophenyl)morpholine-4-carbothioamide |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C25 H29 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc2c(c1)OCO2)=O)CC1CN(CCO1)C(Nc1ccc(cc1)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.701 |
| logD: | 2.6701 |
| logSw: | -3.2485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.802 |
| InChI Key: | USNXFNVEQGMAIT-NRFANRHFSA-N |