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Chemical ID: 6006150
Chemical ID:
6006150
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N,3,5,5-tetramethyl-hexanamide
SMILES [?]:
CC(CC(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)CC(C)(C)C
InChi [?]:
InChI=1/C21H30ClN3O3/c1-15(11-21(2,3)4)10-18(26)23(5)12-19(27)24-13-20(28)25(14-24)17-8-6-16(22)7-9-17/h6-9,15H,10-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,7,19,21,18,22,3,24,8,12,16,2,20,17,4,9,13,25,23,6,11,15,5,10,14/E:(2,3,4)(6,7)(8,9)/rA:28cCCCCONCCCONCCONCCCCCCCClCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s9;s11;s12;d13;s13;s11s15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30ClN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9315 |
Area: | 649.814 |
Solvation: | -4.31385 |
Coulombic: | -49.3902 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.934 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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