Chemical ID: 7080157

CC(C)CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080157
Name [?]:
None
SMILES [?]:
CC(C)CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C27H31ClN2O4/c1-17(2)11-14-33-20-8-5-7-18(15-20)24-23-25(31)21-16-19(28)9-10-22(21)34-26(23)27(32)30(24)13-6-12-29(3)4/h5,7-10,15-17,24H,6,11-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,32,33,9,29,10,8,20,21,4,30,28,5,12,18,2,11,19,7,17,22,14,13,15,24,25,34,31,27,16,26,6,23/E:(1,2)(3,4)/rA:34cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31ClN2O4
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.9111
Area:752.464
Solvation:-4.90055
Coulombic:-48.1982
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.999
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.03
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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