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Chemical ID: 4804470
Chemical ID:
4804470
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
InChi [?]:
InChI=1/C22H16N2O4/c1-3-12-24-20(26)19-17(18(25)13-8-4-7-11-16(13)28-19)22(24)14-9-5-6-10-15(14)23(2)21(22)27/h3-11H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,17,6,5,18,16,7,4,19,26,15,8,3,20,12,13,22,23,10,9,2,25,14,24,11,21/rA:28cCNCCCCCCCCOCCOCCCCCCOCCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.67356 |
Area: | 534.064 |
Solvation: | -3.67805 |
Coulombic: | -53.5482 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 372.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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