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Chemical ID: 7681614
Chemical ID:
7681614
Name [?]:
None
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)N3CCOCC3)COc4ccccc4
InChi [?]:
InChI=1/C23H27N5O3S/c1-2-28-21(16-31-20-6-4-3-5-7-20)25-26-23(28)32-17-22(29)24-18-8-10-19(11-9-18)27-12-14-30-15-13-27/h3-11H,2,12-17H2,1H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,2,30,29,31,28,32,14,18,15,17,20,24,21,23,25,9,13,16,27,4,10,7,12,5,6,19,3,11,22,26,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCCNCNNCSCCONCCCCCCNCCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s19s23;s4;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N5O3S |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4405 |
Area: | 706.464 |
Solvation: | -6.22111 |
Coulombic: | -54.5185 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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