Chemical ID: 7080159

CCOc1cc(ccc1OCC=C)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080159
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C27H29ClN2O5/c1-5-14-34-21-10-8-17(15-22(21)33-6-2)24-23-25(31)19-16-18(28)9-11-20(19)35-26(23)27(32)30(24)13-7-12-29(3)4/h5,8-11,15-16,24H,1,6-7,12-14H2,2-4H3
InChi Info:
AuxInfo=1/0/N:13,1,33,34,12,2,30,7,21,8,22,31,29,11,5,19,6,20,18,23,9,4,15,14,16,25,26,35,32,28,17,27,3,10,24/E:(3,4)/rA:35cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;s32;s32;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29ClN2O5
All Atoms:64
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0006
Area:764.183
Solvation:-7.10402
Coulombic:-55.1439
Bond Count [?]
All:38
Single:28
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:496.982
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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