Chemical ID: 3855609

c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCOCC5
Chemical ID:
3855609
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C23H25N3O3S/c27-19-14-24-22(16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)30-23(21)26(19)15-20(28)25-10-12-29-13-11-25/h1-3,6-7H,4-5,8-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,3,5,21,18,26,30,27,29,9,22,4,15,16,10,23,14,7,13,8,25,12,11,24,28,17/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCNCCONCCCCSCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s10;s12;s7d13;s14;d15;s13s16;s16;s18;s19;s15s20;s12;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.94932
Area:598.527
Solvation:-5.01385
Coulombic:-47.4376
Bond Count [?]
All:34
Single:26
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:423.529
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.93
LogP (Chemaxon):1.74

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Descriptor Annotations

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