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Chemical ID: 7154869
Chemical ID:
7154869
Name [?]:
None
SMILES [?]:
Cc1ccn(n1)C(C)C(=O)Nn2c(nc3c(c2=O)c4c(s3)CC(CC4)C)C
InChi [?]:
InChI=1/C19H23N5O2S/c1-10-5-6-14-15(9-10)27-18-16(14)19(26)24(13(4)20-18)22-17(25)12(3)23-8-7-11(2)21-23/h7-8,10,12H,5-6,9H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,1,8,27,24,25,3,4,22,23,2,7,13,19,20,16,9,15,17,14,6,11,5,12,10,18,21/rA:27cCCCCNNCCCONNCNCCCOCCSCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s20;s22;s23;s19s24;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N5O2S |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1844 |
Area: | 584.103 |
Solvation: | -4.41819 |
Coulombic: | -39.8763 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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