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Chemical ID: 7671703
Chemical ID:
7671703
Name [?]:
None
SMILES [?]:
CCCc1nc2c(c(n1)SCC(=O)N3CCC(CC3)C)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C19H27N5O3S/c1-5-6-13-20-16-15(18(26)23(4)19(27)22(16)3)17(21-13)28-11-14(25)24-9-7-12(2)8-10-24/h12H,5-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,27,28,2,3,16,18,15,19,11,17,4,12,7,6,8,21,24,5,9,26,23,14,13,22,25,10/E:(7,8)(9,10)/rA:28nCCCCNCCCNSCCONCCCCCCCONCONCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;s7;d21;s21;s23;d24;s6s24;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N5O3S |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8504 |
Area: | 619.175 |
Solvation: | -3.62893 |
Coulombic: | -61.1531 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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