Chemical ID: 6609260

CCN(c1ccccc1)C(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C
Chemical ID:
6609260
Name [?]:
None
SMILES [?]:
CCN(c1ccccc1)C(=O)CSc2nnc3n2c4ccccc4c(=O)n3CC=C
InChi [?]:
InChI=1/C22H21N5O2S/c1-3-14-26-20(29)17-12-8-9-13-18(17)27-21(26)23-24-22(27)30-15-19(28)25(4-2)16-10-6-5-7-11-16/h3,5-13H,1,4,14-15H2,2H3
InChi Info:
AuxInfo=1/0/N:30,1,29,2,7,6,8,22,21,5,9,23,20,28,12,4,24,19,10,25,17,14,16,15,3,27,18,11,26,13/E:(6,7)(10,11)/rA:30nCCNCCCCCCCOCSCNNCNCCCCCCCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s24;d25;s17s25;s27;s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N5O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.6825
Area:636.697
Solvation:-3.23492
Coulombic:-48.7342
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.501
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.91
LogP (Chemaxon):3.33

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Descriptor Annotations

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