12-{4-[bis(2-chloroethyl)amino]phenyl}-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
Chemical Structure Depiction of
12-{4-[bis(2-chloroethyl)amino]phenyl}-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
12-{4-[bis(2-chloroethyl)amino]phenyl}-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
Compound characteristics
| Compound ID: | 8012-4627 |
| Compound Name: | 12-{4-[bis(2-chloroethyl)amino]phenyl}-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one |
| Molecular Weight: | 494.46 |
| Molecular Formula: | C28 H29 Cl2 N3 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(CC[Cl])CC[Cl])c3c(ccc4c3cccn4)N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.791 |
| logD: | 5.7632 |
| logSw: | -5.8202 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.276 |
| InChI Key: | HPJXYBXVEVLPDW-VWLOTQADSA-N |