Chemical ID: 6863001

CC(c1ccccc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)C(C)(C)C)Cl
Chemical ID:
6863001
Name [?]:
2-[6-chloro-4-oxo-2-(4-tert-butylphenyl)-chromen-3-yl]oxy-N-(1-phenylethyl)acetamide
SMILES [?]:
CC(c1ccccc1)NC(=O)COc2c(=O)c3cc(ccc3oc2c4ccc(cc4)C(C)(C)C)Cl
InChi [?]:
InChI=1/C29H28ClNO4/c1-18(19-8-6-5-7-9-19)31-25(32)17-34-28-26(33)23-16-22(30)14-15-24(23)35-27(28)20-10-12-21(13-11-20)29(2,3)4/h5-16,18H,17H2,1-4H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,32,33,34,6,5,7,4,8,26,30,27,29,20,21,18,12,2,3,25,28,19,17,22,10,15,24,14,31,35,9,11,16,13,23/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:35cCCCCCCCCNCOCOCCOCCCCCCOCCCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H28ClNO4
All Atoms:63
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.4201
Area:733.598
Solvation:-4.91989
Coulombic:-50.159
Bond Count [?]
All:38
Single:26
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:489.99
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.72
LogP (Chemaxon):6.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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