rel-(8xi)-17-(acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Chemical Structure Depiction of
rel-(8xi)-17-(acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
rel-(8xi)-17-(acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
Compound characteristics
| Compound ID: | 8018-7706 |
| Compound Name: | rel-(8xi)-17-(acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate |
| Molecular Weight: | 596.6 |
| Molecular Formula: | C34 H39 Cl2 N O4 |
| Smiles: | [H]C12CCc3cc(ccc3[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C#C)OC(C)=O)OC(Cc1ccc(cc1)N(CC[Cl])CC[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8285 |
| logD: | 6.8285 |
| logSw: | -5.9137 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.914 |
| InChI Key: | PNMCQXPTJSJVHG-FLJHIIEUSA-N |