Chemical ID: 3887627

COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)NC5CCCCC5
Chemical ID:
3887627
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)NC5CCCCC5
InChi [?]:
InChI=1/C26H31N3O3S/c1-32-19-13-11-17(12-14-19)25-24-20-9-5-6-10-21(20)33-26(24)29(23(31)15-27-25)16-22(30)28-18-7-3-2-4-8-18/h11-14,18H,2-10,15-16H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,22,21,29,33,23,20,5,7,4,8,11,24,6,28,3,17,18,25,12,16,9,15,10,27,14,26,13,2,19/E:(3,4)(7,8)(11,12)(13,14)/rA:33nCOCCCCCCCNCCONCCCCSCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s12;s14;s9d15;s16;d17;s15s18;s18;s20;s21;s17s22;s14;s24;d25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.8435
Area:664.365
Solvation:-4.7656
Coulombic:-51.5777
Bond Count [?]
All:37
Single:29
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:465.609
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.93
LogP (Chemaxon):3.17

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Descriptor Annotations

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