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Chemical ID: 4566625
Chemical ID:
4566625
Name [?]:
None
SMILES [?]:
CCOC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4ccc(c(c4)CN5CCN(CC5)c6ccccc6OC)OC
InChi [?]:
InChI=1/C33H38N4O4/c1-4-41-33(38)27-20-25-24-9-5-6-10-26(24)34-32(25)31(35-27)22-13-14-29(39-2)23(19-22)21-36-15-17-37(18-16-36)28-11-7-8-12-30(28)40-3/h5-14,19,27,31,34-35H,4,15-18,20-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,41,39,2,11,12,34,35,10,13,33,36,20,21,27,31,28,30,24,7,25,19,23,9,8,14,6,32,22,37,17,16,4,15,18,26,29,5,40,38,3/E:(15,16)(17,18)/rA:41cCCOCOCCCCCCCCCNCCNCCCCCCCNCCNCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;s6s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s26;s27;s28;s29;s26s30;s29;s32;d33;s34;d35;d32s36;s37;s38;s22;s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H38N4O4 |
All Atoms: | 41 |
Heavy Atoms: | 41 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.8967 |
Area: | 823.09 |
Solvation: | -7.68054 |
Coulombic: | -65.4168 |
Bond Count [?]
All: | 46 |
Single: | 35 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 554.679 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.66 |
LogP (Chemaxon): | 5.01 |
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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