3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine
Chemical Structure Depiction of
3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine
3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine
Compound characteristics
| Compound ID: | 0495-0102 |
| Compound Name: | 3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine |
| Molecular Weight: | 465.42 |
| Molecular Formula: | C20 H23 N3 O10 |
| Smiles: | C1COc2ccc(cc2OCCOCCOc2cc(c(cc2OCCO1)[N+]([O-])=O)N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1957 |
| logD: | 1.1957 |
| logSw: | -2.1467 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 134.399 |
| InChI Key: | HSOPBOVXCPTUID-UHFFFAOYSA-N |