Chemical ID: 3918402

Cc1ccn2c(c1)nc(c2NCc3ccc(cc3)F)c4ccc(c(c4)OC)OC
Chemical ID:
3918402
Name [?]:
8-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCc3ccc(cc3)F)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C23H22FN3O2/c1-15-10-11-27-21(12-15)26-22(17-6-9-19(28-2)20(13-17)29-3)23(27)25-14-16-4-7-18(24)8-5-16/h4-13,25H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,14,18,21,15,17,22,3,4,7,25,12,2,13,20,16,23,24,6,9,10,19,11,8,5,28,26/E:(4,5)(7,8)/rA:29nCCCCNCCNCCNCCCCCCCFCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22FN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.96337
Area:606.023
Solvation:-6.18721
Coulombic:-42.528
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.438
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):4.82

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Descriptor Annotations

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