Chemical ID: 3865204

CC(C)CCNc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)N(C)C
Chemical ID:
3865204
Name [?]:
4-chloro-8-(4-dimethylaminophenyl)-N-isopentyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)CCNc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C20H25ClN4/c1-14(2)11-12-22-20-19(15-5-8-17(9-6-15)24(3)4)23-18-10-7-16(21)13-25(18)20/h5-10,13-14,22H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,24,25,18,22,14,19,21,15,4,5,12,2,17,13,20,10,8,7,16,6,9,23,11/E:(1,2)(3,4)(5,6)(8,9)/rA:25nCCCCCNCCNCNCCCCClCCCCCCNCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s10d14;s13;s8;s17;d18;s19;d20;d17s21;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25ClN4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1691
Area:574.131
Solvation:-2.18417
Coulombic:-31.9295
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.892
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.69
LogP (Chemaxon):5.26

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Descriptor Annotations

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