3-(2H-1,3-benzodioxol-5-yl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
					Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
			3-(2H-1,3-benzodioxol-5-yl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3490-5535 | 
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | 
| Molecular Weight: | 430.52 | 
| Molecular Formula: | C25 H22 N2 O3 S | 
| Smiles: | Cc1ccc(C2C3=C(CC(CC3=O)c3ccc4c(c3)OCO4)Nc3ccccc3N2)s1 | 
| Stereo: | MIXTURE OF STEREOISOMERS | 
| logP: | 5.503 | 
| logD: | 5.4758 | 
| logSw: | -5.4957 | 
| Hydrogen bond acceptors count: | 4 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 54.61 | 
| InChI Key: | HTMLOCJJKALHQD-UHFFFAOYSA-N | 
 
				 
				