Chemical ID: 6478532

CC1(Cc2c(c(nn2C)c3ccc(cc3)OC)C(=NOC)C1)C
Chemical ID:
6478532
Name [?]:
N-methoxy-3-(4-methoxyphenyl)-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
SMILES [?]:
CC1(Cc2c(c(nn2C)c3ccc(cc3)OC)C(=NOC)C1)C
InChi [?]:
InChI=1/C18H23N3O2/c1-18(2)10-14(20-23-5)16-15(11-18)21(3)19-17(16)12-6-8-13(22-4)9-7-12/h6-9H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,9,17,21,11,15,12,14,22,3,10,13,18,4,5,6,2,7,19,8,16,20/E:(1,2)(6,7)(8,9)/rA:23nCCCCCCNNCCCCCCCOCCNOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s6;s10;d11;s12;d13;d10s14;s13;s16;s5;w18;s19;s20;s2s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.18553
Area:483.388
Solvation:-3.89917
Coulombic:-15.9759
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:313.394
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.12

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