8,9A,11A-TRIMETHYL-7-OXO-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL 3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-ACETAMIDOPROPANOATE
Chemical Structure Depiction of
8,9A,11A-TRIMETHYL-7-OXO-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL 3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-ACETAMIDOPROPANOATE
8,9A,11A-TRIMETHYL-7-OXO-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL 3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-ACETAMIDOPROPANOATE
Compound characteristics
| Compound ID: | 0277-0043 |
| Compound Name: | 8,9A,11A-TRIMETHYL-7-OXO-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL 3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-ACETAMIDOPROPANOATE |
| Molecular Weight: | 633.7 |
| Molecular Formula: | C35 H50 Cl2 N2 O4 |
| Smiles: | CC1CC2(C)C(CCC3C2CCC2(C)C3CCC2OC(C(Cc2ccc(cc2)N(CC[Cl])CC[Cl])NC(C)=O)=O)CC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1725 |
| logD: | 6.1725 |
| logSw: | -5.6467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.099 |
| InChI Key: | UISXOAJBTYXLPL-UHFFFAOYSA-N |