Chemical ID: 4633623

Cc1ccc(cc1)NC(=O)CSc2nc3c(c4c(s3)CN(CC4)C)c(=O)n2c5ccc(cc5)C
Chemical ID:
4633623
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nc3c(c4c(s3)CN(CC4)C)c(=O)n2c5ccc(cc5)C
InChi [?]:
InChI=1/C26H26N4O2S2/c1-16-4-8-18(9-5-16)27-22(31)15-33-26-28-24-23(20-12-13-29(3)14-21(20)34-24)25(32)30(26)19-10-6-17(2)7-11-19/h4-11H,12-15H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,24,3,7,30,32,4,6,29,33,23,22,20,11,2,31,5,28,17,18,9,16,15,25,13,8,14,21,27,10,26,12,19/E:(4,5)(6,7)(8,9)(10,11)/rA:34cCCCCCCCNCOCSCNCCCCSCNCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s21;s16;d25;s13s25;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O2S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.2047
Area:718.044
Solvation:-3.7464
Coulombic:-48.9129
Bond Count [?]
All:38
Single:27
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:490.642
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):5.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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