9-(3-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Chemical Structure Depiction of
9-(3-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
9-(3-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Compound characteristics
| Compound ID: | 8538-0010 |
| Compound Name: | 9-(3-chlorophenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C17 H17 Cl N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Cl])Nc3c(N2)non3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9605 |
| logD: | 1.8939 |
| logSw: | -4.2654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.518 |
| InChI Key: | DUSRGYVNWBXYGU-AWEZNQCLSA-N |