857868-24-7
Carotegrast-methyl Impurity 30
CAS: 857868-24-7
Molecular Formula: C31H32CI2N4O5
857868-24-7 - Names and Identifiers
| Name | Carotegrast-methyl Impurity 30 |
| Synonyms | butyl (S)-2-(2,6-dichlorobenzamido)-3-(4-(6-(ethylamino)-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)propanoate |
| CAS | 857868-24-7 |
| InChI | InChI=1/C31H32Cl2N4O5/c1-4-6-16-42-30(40)25(35-28(38)27-23(32)8-7-9-24(27)33)17-19-10-13-21(14-11-19)37-29(39)22-18-20(34-5-2)12-15-26(22)36(3)31(37)41/h7-15,18,25,34H,4-6,16-17H2,1-3H3,(H,35,38)/t25-/s2 |
| InChIKey | TVJRKIKYGFXISR-KSYWNVGFNA-N |
| Canonical Smiles | CCCCOC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=CC=C(NCC)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(NCC)C=C2C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl |
857868-24-7 - Physico-chemical Properties
| Molecular Formula | C31H32CI2N4O5 |
| Molar Mass | 611.52 |
| PSA | 111.43000 |
| logP | 5.57630 |
