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Chemical ID: 7080773
Chemical ID:
7080773
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)O
InChi [?]:
InChI=1/C25H19NO4/c27-18-12-10-17(11-13-18)22-21-23(28)19-8-4-5-9-20(19)30-24(21)25(29)26(22)15-14-16-6-2-1-3-7-16/h1-13,22,27H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,15,18,25,29,26,28,7,8,4,24,27,14,19,11,10,12,21,22,9,30,13,23,20/E:(2,3)(6,7)(10,11)(12,13)/rA:30cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO4 |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.156 |
Area: | 614.492 |
Solvation: | -4.20633 |
Coulombic: | -53.3527 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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