N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0713 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H18 F N3 O3 S |
| Smiles: | C1C(c2ccc(cc2)F)=Nc2ccccc2N=C1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5368 |
| logD: | 4.5361 |
| logSw: | -4.4524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.454 |
| InChI Key: | JUIUGBDOCBYRBO-UHFFFAOYSA-N |