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Chemical ID: 7692109
Chemical ID:
7692109
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C24H30N4OS/c1-3-8-28-22(24-12-17-9-18(13-24)11-19(10-17)14-24)26-27-23(28)30-15-21(29)25-20-6-4-16(2)5-7-20/h3-7,17-19H,1,8-15H2,2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:20,1,19,3,7,4,6,18,24,27,29,26,22,30,11,2,25,23,28,5,9,16,13,21,8,15,14,17,10,12/E:(4,5)(6,7)(9,10,11)(12,13,14)(17,18,19)/rA:30nCCCCCCCNCOCSCNNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s16;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4OS |
All Atoms: | 60 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0154 |
Area: | 631.353 |
Solvation: | -2.76847 |
Coulombic: | -35.0946 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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