N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C200-6341 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | C1C(c2ccccc2)=Nc2ccccc2N=C1SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5422 |
| logD: | 3.5414 |
| logSw: | -3.7953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.162 |
| InChI Key: | MNQKAIGIUGKPCZ-UHFFFAOYSA-N |