Chemical ID: 4582388

CC(CN1Cc2c(ccc3c2oc(=O)cc3c4ccc(cc4)OC)OC1)c5ccccc5
Chemical ID:
4582388
Name [?]:
None
SMILES [?]:
CC(CN1Cc2c(ccc3c2oc(=O)cc3c4ccc(cc4)OC)OC1)c5ccccc5
InChi [?]:
InChI=1/C27H25NO4/c1-18(19-6-4-3-5-7-19)15-28-16-24-25(31-17-28)13-12-22-23(14-26(29)32-27(22)24)20-8-10-21(30-2)11-9-20/h3-14,18H,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,30,29,31,28,32,18,22,19,21,9,8,15,3,5,26,2,27,17,20,10,16,6,7,13,11,4,14,23,25,12/E:(4,5)(6,7)(8,9)(10,11)/rA:32cCCCNCCCCCCCOCOCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s10d15;s16;s17;d18;s19;d20;d17s21;s20;s23;s7;s4s25;s2;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:11.1648
Area:655.679
Solvation:-5.22718
Coulombic:-40.9322
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.492
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.3
LogP (Chemaxon):5.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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