Chemical ID: 3873689

Cc1cccc2n1c(c(n2)c3ccc(c(c3)OC)O)NC(C)(C)C
Chemical ID:
3873689
Name [?]:
2-methoxy-4-(5-methyl-7-tert-butylamino-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl)-phenol
SMILES [?]:
Cc1cccc2n1c(c(n2)c3ccc(c(c3)OC)O)NC(C)(C)C
InChi [?]:
InChI=1/C19H23N3O2/c1-12-7-6-8-16-20-17(18(22(12)16)21-19(2,3)4)13-9-10-14(23)15(11-13)24-5/h6-11,21,23H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,23,24,18,4,3,5,12,13,16,2,11,14,15,6,9,8,21,10,20,7,19,17/E:(2,3,4)/rA:24nCCCCCCNCCNCCCCCCOCONCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s8;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.09327
Area:486.799
Solvation:-4.07671
Coulombic:-47.2463
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.405
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):3.25

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