Chemical ID: 4885724

Cc1cccc(c1)NC(=O)CSc2nc3c(c4c(s3)CN(CC4)C)c(=O)n2c5ccc(cc5)Cl
Chemical ID:
4885724
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)CSc2nc3c(c4c(s3)CN(CC4)C)c(=O)n2c5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H23ClN4O2S2/c1-15-4-3-5-17(12-15)27-21(31)14-33-25-28-23-22(19-10-11-29(2)13-20(19)34-23)24(32)30(25)18-8-6-16(26)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,24,4,3,5,30,32,29,33,23,22,7,20,11,2,31,6,28,17,18,9,16,15,25,13,34,8,14,21,27,10,26,12,19/E:(6,7)(8,9)/rA:34cCCCCCCCNCOCSCNCCCCSCNCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;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:C25H23ClN4O2S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.6304
Area:733.35
Solvation:-3.70337
Coulombic:-49.2128
Bond Count [?]
All:38
Single:27
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:511.061
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):5.3

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Experimental Annotations

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Descriptor Annotations

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