Chemical ID: 4569092

Cc1c2ccc(cc2oc(=O)c1Cc3ccccc3)OC(=O)CCCCCNC(=O)OCc4ccccc4
Chemical ID:
4569092
Name [?]:
(3-benzyl-4-methyl-2-oxo-chromen-7-yl) 6-benzyloxycarbonylaminohexanoate
SMILES [?]:
Cc1c2ccc(cc2oc(=O)c1Cc3ccccc3)OC(=O)CCCCCNC(=O)OCc4ccccc4
InChi [?]:
InChI=1/C31H31NO6/c1-22-26-17-16-25(20-28(26)38-30(34)27(22)19-23-11-5-2-6-12-23)37-29(33)15-9-4-10-18-32-31(35)36-21-24-13-7-3-8-14-24/h2-3,5-8,11-14,16-17,20H,4,9-10,15,18-19,21H2,1H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,17,36,25,16,18,35,37,24,26,15,19,34,38,23,5,4,27,13,7,32,2,14,33,6,3,12,8,21,10,29,28,22,11,30,31,20,9/E:(5,6)(7,8)(11,12)(13,14)/rA:38nCCCCCCCCOCOCCCCCCCCOCOCCCCCNCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;s14;d15;s16;d17;d14s18;s6;s20;d21;s21;s23;s24;s25;s26;s27;s28;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31NO6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:15.899
Area:823.469
Solvation:-4.68775
Coulombic:-73.771
Bond Count [?]
All:41
Single:28
Double:13
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:513.581
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.87
LogP (Chemaxon):6.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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