Chemical ID: 5927968

CC(C)(C)Nc1c(nc2n1cccc2OCc3ccccc3)c4ccc(cc4)Cl
Chemical ID:
5927968
Name [?]:
2-benzyloxy-8-(4-chlorophenyl)-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)Nc1c(nc2n1cccc2OCc3ccccc3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H24ClN3O/c1-24(2,3)27-23-21(18-11-13-19(25)14-12-18)26-22-20(10-7-15-28(22)23)29-16-17-8-5-4-6-9-17/h4-15,27H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,19,21,12,18,22,13,24,28,25,27,11,16,17,23,26,14,7,9,6,2,29,8,5,10,15/E:(1,2,3)(5,6)(8,9)(11,12)(13,14)/rA:29nCCCCNCCNCNCCCCOCCCCCCCCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s14;s15;s16;s17;d18;s19;d20;d17s21;s7;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24ClN3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9472
Area:620.299
Solvation:-3.56025
Coulombic:-35.4467
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.92
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.95
LogP (Chemaxon):5.82

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Descriptor Annotations

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