Chemical ID: 7080130

CC(C)(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080130
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O3/c1-26(2,3)17-9-7-16(8-10-17)22-21-23(30)19-15-18(27)11-12-20(19)32-24(21)25(31)29(22)14-6-13-28(4)5/h7-12,15,22H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,30,31,27,7,9,6,10,18,19,28,26,16,8,5,17,15,20,12,11,13,22,23,2,32,29,25,14,24,21/E:(1,2,3)(4,5)(7,8)(9,10)/rA:32cCCCCCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;s29;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O3
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.8607
Area:695.976
Solvation:-3.5387
Coulombic:-41.5392
Bond Count [?]
All:35
Single:26
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:452.973
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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