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Chemical ID: 7669323
Chemical ID:
7669323
Name [?]:
None
SMILES [?]:
CCn1ccc(n1)c2nnc(n2CC3CCCO3)SCC(=O)O
InChi [?]:
InChI=1/C14H19N5O3S/c1-2-18-6-5-11(17-18)13-15-16-14(23-9-12(20)21)19(13)8-10-4-3-7-22-10/h5-6,10H,2-4,7-9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,5,4,17,13,20,14,6,21,8,11,9,10,7,3,12,22,23,18,19/E:(20,21)/rA:23cCCNCCCNCNNCNCCCCCOSCCOO/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s9;d10;s8s11;s12;s13;s14;s15;s16;s14s17;s11;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N5O3S |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.56394 |
Area: | 524.909 |
Solvation: | -4.55879 |
Coulombic: | -49.5266 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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