Chemical ID: 7080138

CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080138
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C25H27ClN2O4/c1-4-14-31-18-9-6-16(7-10-18)22-21-23(29)19-15-17(26)8-11-20(19)32-24(21)25(30)28(22)13-5-12-27(2)3/h6-11,15,22H,4-5,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,27,7,9,18,6,10,19,28,26,3,16,8,17,5,15,20,12,11,13,22,23,32,29,25,14,24,4,21/E:(2,3)(6,7)(9,10)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;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:C25H27ClN2O4
All Atoms:59
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.9153
Area:708.019
Solvation:-4.78519
Coulombic:-47.7914
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:454.946
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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