Chemical ID: 5275557

CC(C)CNc1c2c(c3c4c(c(nc3s2)C(C)C)CCC4)ncn1
Chemical ID:
5275557
Name [?]:
None
SMILES [?]:
CC(C)CNc1c2c(c3c4c(c(nc3s2)C(C)C)CCC4)ncn1
InChi [?]:
InChI=1/C19H24N4S/c1-10(2)8-20-18-17-16(21-9-22-18)14-12-6-5-7-13(12)15(11(3)4)23-19(14)24-17/h9-11H,5-8H2,1-4H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,20,21,19,4,23,2,16,10,11,9,12,8,7,6,14,5,22,24,13,15/E:(1,2)(3,4)/rA:24nCCCCNCCCCCCCNCSCCCCCCNCN/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;s16;s11;s19;s10s20;s8;d22;d6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.3247
Area:552.67
Solvation:-1.49202
Coulombic:-29.4176
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.487
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.76
LogP (Chemaxon):5.53

Name Annotations

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Descriptor Annotations

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