N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1481 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C22 H17 N3 O3 S2 |
| Smiles: | C1C(c2cccs2)=Nc2ccccc2N=C1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3447 |
| logD: | 4.3443 |
| logSw: | -4.4057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.473 |
| InChI Key: | XZDKWALTTIINPN-UHFFFAOYSA-N |