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Chemical ID: 7724881
Chemical ID:
7724881
Name [?]:
None
SMILES [?]:
c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)Nc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C18H13N5O3S2/c24-16(19-11-3-4-12-13(8-11)26-10-25-12)9-28-17-6-5-15-20-21-18(23(15)22-17)14-2-1-7-27-14/h1-8H,9-10H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,14,13,5,25,16,27,20,23,24,3,9,17,12,6,19,8,7,11,10,18,28,26,4,15/rA:28nCCCSCCNNCNNCCCSCCONCCCCCCOCO/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N5O3S2 |
All Atoms: | 41 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3545 |
Area: | 601.25 |
Solvation: | -4.67674 |
Coulombic: | -47.6853 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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