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Chemical ID: 6694302
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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