N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1487 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C23 H19 N3 O3 S2 |
| Smiles: | C1C(c2cccs2)=Nc2ccccc2N=C1SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4841 |
| logD: | 3.4838 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.18 |
| InChI Key: | PDODWPIQDYQQRO-UHFFFAOYSA-N |