Chemical ID: 5420788

CC(C)c1cccc(c1NC(=O)COC(=O)c2cc(c3ccccc3c2O)O)C(C)C
Chemical ID:
5420788
Name [?]:
(2,6-diisopropylphenyl)carbamoylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
SMILES [?]:
CC(C)c1cccc(c1NC(=O)COC(=O)c2cc(c3ccccc3c2O)O)C(C)C
InChi [?]:
InChI=1/C25H27NO5/c1-14(2)16-10-7-11-17(15(3)4)23(16)26-22(28)13-31-25(30)20-12-21(27)18-8-5-6-9-19(18)24(20)29/h5-12,14-15,27,29H,13H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,30,31,22,23,6,21,24,5,7,18,13,2,29,4,8,20,25,17,19,11,9,26,15,10,28,12,27,16,14/E:(1,2,3,4)(10,11)(14,15)(16,17)/rA:31nCCCCCCCCCNCOCOCOCCCCCCCCCCOOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;s26;s19;s8;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.2012
Area:654.282
Solvation:-5.15582
Coulombic:-73.758
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.486
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:6.1
LogP (Chemaxon):4.85

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Descriptor Annotations

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