Chemical ID: 4554164

Cc1cc(=O)oc2c1ccc(c2)OC(=O)CCNC(=O)OC(C)(C)C
Chemical ID:
4554164
Name [?]:
(4-methyl-2-oxo-chromen-7-yl) 3-tert-butoxycarbonylaminopropanoate
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OC(=O)CCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C18H21NO6/c1-11-9-16(21)24-14-10-12(5-6-13(11)14)23-15(20)7-8-19-17(22)25-18(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,10,9,16,17,3,12,2,11,8,7,14,4,19,22,18,15,5,20,13,6,21/E:(2,3,4)/rA:25nCCCCOOCCCCCCOCOCCNCOOCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.489
Area:578.17
Solvation:-3.96526
Coulombic:-69.1546
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.362
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.72
LogP (Chemaxon):2.64

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Descriptor Annotations

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