Chemical ID: 7080469

CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080469
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C27H31NO6/c1-17(2)12-15-33-21-11-10-18(16-22(21)32-4)24-23-25(29)19-8-5-6-9-20(19)34-26(23)27(30)28(24)13-7-14-31-3/h5-6,8-11,16-17,24H,7,12-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,34,14,21,22,31,20,23,9,8,4,30,32,5,11,2,10,19,24,7,12,16,15,17,26,27,29,18,28,33,13,6,25/E:(1,2)/rA:34cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO6
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.3017
Area:730.694
Solvation:-7.96561
Coulombic:-57.4442
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.538
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.01
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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