3,3-dimethyl-1-oxo-N-[(oxolan-2-yl)methyl]-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Chemical Structure Depiction of
3,3-dimethyl-1-oxo-N-[(oxolan-2-yl)methyl]-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
3,3-dimethyl-1-oxo-N-[(oxolan-2-yl)methyl]-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Compound characteristics
| Compound ID: | J024-0266 |
| Compound Name: | 3,3-dimethyl-1-oxo-N-[(oxolan-2-yl)methyl]-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(NCC3CCCO3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0486 |
| logD: | 4.0122 |
| logSw: | -4.1586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.98 |
| InChI Key: | SQYHCQIDAQLPHZ-UHFFFAOYSA-N |