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Chemical ID: 7075456
Chemical ID:
7075456
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCc5ccccc5
InChi [?]:
InChI=1/C31H32N2O4/c1-3-32(4-2)19-10-20-33-28(23-15-17-24(18-16-23)36-21-22-11-6-5-7-12-22)27-29(34)25-13-8-9-14-26(25)37-30(27)31(33)35/h5-9,11-18,28H,3-4,10,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,35,34,36,16,17,7,33,37,15,18,25,29,26,28,6,8,31,32,24,27,14,19,11,10,12,21,22,3,9,13,23,30,20/E:(1,2)(3,4)(6,7)(11,12)(15,16)(17,18)/rA:37cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H32N2O4 |
All Atoms: | 69 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.2667 |
Area: | 778.241 |
Solvation: | -5.18936 |
Coulombic: | -49.8356 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 496.597 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.9 |
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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