N-(4-bromophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1468 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.41 |
| Molecular Formula: | C21 H16 Br N3 O S2 |
| Smiles: | C1C(c2cccs2)=Nc2ccccc2N=C1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3455 |
| logD: | 5.345 |
| logSw: | -5.5848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.357 |
| InChI Key: | VDPXVTYLQMNLHA-UHFFFAOYSA-N |