2,17-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
Chemical Structure Depiction of
2,17-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
2,17-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
Compound characteristics
| Compound ID: | 0242-0047 |
| Compound Name: | 2,17-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine |
| Molecular Weight: | 538.51 |
| Molecular Formula: | C24 H30 N2 O12 |
| Smiles: | C1COCCOc2ccc(cc2OCCOCCOCCOc2cc(ccc2OCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2971 |
| logD: | 1.2971 |
| logSw: | -1.9932 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 130.421 |
| InChI Key: | XMOQOCCSHDPHBA-UHFFFAOYSA-N |