Chemical ID: 3870526

Cc1cccc(c1NC(=O)CSc2nnc3n2c4c(cc(cc4c(c3)C)C)C)C
Chemical ID:
3870526
Name [?]:
None
SMILES [?]:
Cc1cccc(c1NC(=O)CSc2nnc3n2c4c(cc(cc4c(c3)C)C)C)C
InChi [?]:
InChI=1/C23H24N4OS/c1-13-9-17(5)22-18(10-13)16(4)11-19-25-26-23(27(19)22)29-12-20(28)24-21-14(2)7-6-8-15(21)3/h6-11H,12H2,1-5H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:27,1,29,26,28,4,3,5,20,22,25,11,21,2,6,24,19,23,16,9,7,18,13,8,15,14,17,10,12/E:(2,3)(7,8)(14,15)/rA:29nCCCCCCCNCOCSCNNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s23;s16d24;s24;s21;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.411
Area:614.621
Solvation:-2.95456
Coulombic:-32.8574
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.529
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.82
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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