Chemical ID: 4492043

CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5
Chemical ID:
4492043
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5
InChi [?]:
InChI=1/C27H23NO4/c1-2-16-31-20-14-12-19(13-15-20)24-23-25(29)21-10-6-7-11-22(21)32-26(23)27(30)28(24)17-18-8-4-3-5-9-18/h3-15,24H,2,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,17,18,28,32,16,19,7,9,6,10,3,26,27,8,5,15,20,12,11,13,22,23,25,14,24,4,21/E:(4,5)(8,9)(12,13)(14,15)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.8887
Area:651.384
Solvation:-4.39589
Coulombic:-45.2556
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.476
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):4.99

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Experimental Annotations

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Descriptor Annotations

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