Chemical ID: 6147135

CC(C)c1cccc(c1NC(=O)COC(=O)C=Cc2ccc(cc2)OC)C(C)C
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

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Descriptor Annotations

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