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Chemical ID: 5747781
Chemical ID:
5747781
Name [?]:
None
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4)C(C)C
InChi [?]:
InChI=1/C24H29N3O2S2/c1-13(2)15-9-7-10-16(14(3)4)21(15)25-19(28)12-30-24-26-22(29)20-17-8-5-6-11-18(17)31-23(20)27-24/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,30,31,27,26,6,28,5,7,25,13,2,29,4,8,20,21,11,19,9,17,23,15,10,16,24,12,18,14,22/E:(1,2,3,4)(9,10)(13,14)(15,16)/rA:31nCCCCCCCCCNCOCSCNCOCCCSCNCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;d17;s17;s19;d20;s21;d19s22;d15s23;s21;s25;s26;s20s27;s8;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O2S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0276 |
Area: | 678.057 |
Solvation: | -2.92379 |
Coulombic: | -49.2182 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 455.638 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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