7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Chemical Structure Depiction of
7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Compound characteristics
| Compound ID: | 0242-0731 |
| Compound Name: | 7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one |
| Molecular Weight: | 252.18 |
| Molecular Formula: | C9 H8 N4 O5 |
| Smiles: | C1CNc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2929 |
| logD: | 0.2921 |
| logSw: | -2.0849 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.339 |
| InChI Key: | DURANIMFVQVBFK-UHFFFAOYSA-N |