Chemical ID: 4560630

CC(C)Cc1ccc(cc1)C(=O)CC2c3c(cc4c(c3OC)OCO4)CCN2C
Chemical ID:
4560630
Name [?]:
None
SMILES [?]:
CC(C)Cc1ccc(cc1)C(=O)CC2c3c(cc4c(c3OC)OCO4)CCN2C
InChi [?]:
InChI=1/C24H29NO4/c1-15(2)11-16-5-7-17(8-6-16)20(26)13-19-22-18(9-10-25(19)3)12-21-23(24(22)27-4)29-14-28-21/h5-8,12,15,19H,9-11,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,22,6,10,7,9,26,27,4,17,13,24,2,5,8,16,14,11,18,15,19,20,28,12,21,25,23/E:(1,2)(5,6)(7,8)/rA:29cCCCCCCCCCCCOCCCCCCCCOCOCOCCNC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;s18s24;s16;s26;s14s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.0613
Area:600.025
Solvation:-4.93937
Coulombic:-38.4772
Bond Count [?]
All:32
Single:25
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.491
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.85
LogP (Chemaxon):4.25

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Descriptor Annotations

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