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Chemical ID: 7386422
Chemical ID:
7386422
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCCO)C
InChi [?]:
InChI=1/C19H21N5O4/c1-12-11-23-15-16(21(2)19(27)22(17(15)26)8-5-9-25)20-18(23)24(12)13-6-4-7-14(10-13)28-3/h4,6-7,10-11,25H,5,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,17,12,25,11,13,24,26,15,3,2,10,14,5,6,22,8,19,7,18,21,4,9,27,23,20,16/rA:28nCCCNCCNCNCCCCCCOCNCONCOCCCOC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s26;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O4 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89417 |
Area: | 591.127 |
Solvation: | -4.88399 |
Coulombic: | -77.371 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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