857868-32-7
Carotegrast-methyl Impurity 28
CAS: 857868-32-7
Molecular Formula: C32H34CI2N4O5
857868-32-7 - Names and Identifiers
| Name | Carotegrast-methyl Impurity 28 |
| Synonyms | butyl (S)-2-(2,6-dichlorobenzamido)-3-(4-(1-methyl-2,4-dioxo-6-(propylamino)-1,4-dihydroquinazolin-3(2H)-yl)phenyl)propanoate |
| CAS | 857868-32-7 |
| InChI | InChI=1/C32H34Cl2N4O5/c1-4-6-17-43-31(41)26(36-29(39)28-24(33)8-7-9-25(28)34)18-20-10-13-22(14-11-20)38-30(40)23-19-21(35-16-5-2)12-15-27(23)37(3)32(38)42/h7-15,19,26,35H,4-6,16-18H2,1-3H3,(H,36,39)/t26-/s2 |
| InChIKey | HNKRJDCXRYXCQJ-CYLJNIGPNA-N |
| Canonical Smiles | CCCCOC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=CC=C(NCCC)C=C2C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl |
| Isomers Smiles | CCCCOC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=CC=C(NCCC)C=C2C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl |
857868-32-7 - Physico-chemical Properties
| Molecular Formula | C32H34CI2N4O5 |
| Molar Mass | 625.55 |
| PSA | 111.43000 |
| logP | 5.96640 |
