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Chemical ID: 6147135
Chemical ID:
6147135
Name [?]:
(2,6-diisopropylphenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
CC(C)c1cccc(c1NC(=O)COC(=O)C=Cc2ccc(cc2)OC)C(C)C
InChi [?]:
InChI=1/C24H29NO4/c1-16(2)20-7-6-8-21(17(3)4)24(20)25-22(26)15-29-23(27)14-11-18-9-12-19(28-5)13-10-18/h6-14,16-17H,15H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,26,6,5,7,20,24,18,21,23,17,13,2,27,19,22,4,8,11,15,9,10,12,16,25,14/E:(1,2,3,4)(7,8)(9,10)(12,13)(16,17)(20,21)/rA:29nCCCCCCCCCNCOCOCOCCCCCCCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s8;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1126 |
Area: | 638.455 |
Solvation: | -4.84879 |
Coulombic: | -49.1717 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 395.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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