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Chemical ID: 6478532
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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