Chemical ID: 3887576

c1ccc(cc1)N(c2ccccc2)C(=O)CN3c4c(c5c(s4)CCC5)C(=NCC3=O)c6cccs6
Chemical ID:
3887576
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CN3c4c(c5c(s4)CCC5)C(=NCC3=O)c6cccs6
InChi [?]:
InChI=1/C28H23N3O2S2/c32-24-17-29-27(23-15-8-16-34-23)26-21-13-7-14-22(21)35-28(26)30(24)18-25(33)31(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,8-12,15-16H,7,13-14,17-18H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,24,33,3,5,9,13,25,23,32,34,28,16,4,8,20,21,31,29,14,19,26,18,27,17,7,30,15,35,22/E:(1,2)(3,4,5,6)(9,10,11,12)(19,20)/rA:35nCCCCCCNCCCCCCCOCNCCCCSCCCCNCCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;s18s21;s21;s23;s20s24;s19;d26;s27;s17s28;d29;s26;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23N3O2S2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.5812
Area:692.798
Solvation:-3.73873
Coulombic:-41.5318
Bond Count [?]
All:40
Single:27
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:497.633
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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