Chemical ID: 6694302

Cc1cc(ccc1c2ccc(cc2)C(=O)N3CCc4c3cc5c(c4)OCC56CCN(CC6)C)c7nc(on7)C
Chemical ID:
6694302
Name [?]:
None
SMILES [?]:
Cc1cc(ccc1c2ccc(cc2)C(=O)N3CCc4c3cc5c(c4)OCC56CCN(CC6)C)c7nc(on7)C
InChi [?]:
InChI=1/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,39,33,9,13,10,12,5,6,18,28,32,17,29,31,3,24,21,26,2,36,8,11,19,4,7,22,20,23,34,14,27,35,38,30,16,15,25,37/E:(4,5)(6,7)(11,12)(14,15)/rA:39nCCCCCCCCCCCCCCONCCCCCCCCOCCCCNCCCCNCONC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;s18;s16s19;d20;s21;d22;d19s23;s23;s25;s22s26;s27;s28;s29;s30;s27s31;s30;s4;s34;d35;s36;d34s37;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H32N4O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:14.613
Area:764.228
Solvation:-4.49274
Coulombic:-42.0215
Bond Count [?]
All:45
Single:33
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:520.622
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):4.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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