Chemical ID: 4607285

CCc1c2c(c3c4c(c(ncn4)NCCN(C)C)sc3n1)CCCC2
Chemical ID:
4607285
Name [?]:
None
SMILES [?]:
CCc1c2c(c3c4c(c(ncn4)NCCN(C)C)sc3n1)CCCC2
InChi [?]:
InChI=1/C19H25N5S/c1-4-14-12-7-5-6-8-13(12)15-16-17(25-19(15)23-14)18(22-11-21-16)20-9-10-24(2)3/h11H,4-10H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,24,23,25,22,14,15,11,4,5,3,6,7,8,9,20,13,12,10,21,16,19/E:(2,3)/rA:25nCCCCCCCCCNCNNCCNCCSCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s9;s13;s14;s15;s16;s16;s8;d6s19;d3s20;s5;s22;s23;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1178
Area:565.401
Solvation:-2.01722
Coulombic:-33.5059
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.501
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.81
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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