methyl 11-(5-chlorothiophen-2-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
methyl 11-(5-chlorothiophen-2-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(5-chlorothiophen-2-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8013-2735 |
| Compound Name: | methyl 11-(5-chlorothiophen-2-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Smiles: | CC1CC2=C(C(c3ccc(s3)[Cl])Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1145 |
| logD: | 4.1082 |
| logSw: | -4.3328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.839 |
| InChI Key: | SKAPESQAESKZGL-UHFFFAOYSA-N |