Chemical ID: 4570970

CCCCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCNC(=O)OC(C)(C)C
Chemical ID:
4570970
Name [?]:
(4-butyl-2-oxo-chromen-7-yl) 4-tert-butoxycarbonylaminobutanoate
SMILES [?]:
CCCCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C22H29NO6/c1-5-6-8-15-13-20(25)28-18-14-16(10-11-17(15)18)27-19(24)9-7-12-23-21(26)29-22(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,3,20,4,19,13,12,21,6,15,5,14,11,10,17,7,23,26,22,18,8,24,16,9,25/E:(2,3,4)/rA:29nCCCCCCCOOCCCCCCOCOCCCNCOOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;s20;s21;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29NO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.076
Area:683.488
Solvation:-4.01118
Coulombic:-70.3859
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.469
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.68
LogP (Chemaxon):4.08

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Descriptor Annotations

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