Chemical ID: 7303576

CCC(C)NC(=O)CSc1nnc2n1c3ccccc3c(=O)n2CC=C
Chemical ID:
7303576
Name [?]:
None
SMILES [?]:
CCC(C)NC(=O)CSc1nnc2n1c3ccccc3c(=O)n2CC=C
InChi [?]:
InChI=1/C18H21N5O2S/c1-4-10-22-16(25)13-8-6-7-9-14(13)23-17(22)20-21-18(23)26-11-15(24)19-12(3)5-2/h4,6-9,12H,1,5,10-11H2,2-3H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:26,1,4,25,2,18,17,19,16,24,8,3,20,15,6,21,13,10,5,12,11,23,14,7,22,9/rA:26cCCCCNCOCSCNNCNCCCCCCCONCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s13s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N5O2S
All Atoms:47
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.845
Area:584.527
Solvation:-2.76815
Coulombic:-53.0436
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.458
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):2.29

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