2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine
Chemical Structure Depiction of
2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine
2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine
Compound characteristics
| Compound ID: | 0242-0346 |
| Compound Name: | 2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine |
| Molecular Weight: | 626.62 |
| Molecular Formula: | C28 H38 N2 O14 |
| Smiles: | C1COCCOc2ccc(cc2OCCOCCOCCOCCOc2cc(ccc2OCCOCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9473 |
| logD: | 0.9473 |
| logSw: | -1.827 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 146.238 |
| InChI Key: | XVFOXPCXLQIPJY-UHFFFAOYSA-N |