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Chemical ID: 4573750
Chemical ID:
4573750
Name [?]:
None
SMILES [?]:
CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)Cc5ccco5
InChi [?]:
InChI=1/C20H19N3O3/c1-12-19-15(14-6-2-3-7-16(14)21-19)9-17-20(25)22(11-18(24)23(12)17)10-13-5-4-8-26-13/h2-8,12,17,21H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,24,23,6,9,25,12,21,17,2,22,5,4,10,13,15,3,19,11,18,14,16,20,26/rA:26cCCCCCCCCCCNCCNCOCNCOCCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13s18;d19;s18;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.48703 |
Area: | 527.216 |
Solvation: | -3.69336 |
Coulombic: | -51.8237 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 349.383 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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