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Chemical ID: 5282871
Chemical ID:
5282871
Name [?]:
2-(3,5-dimethyl-1-piperidyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILES [?]:
CC1CC(CN(C1)c2ncc3c(n2)CC(CC3=O)c4ccccc4)C
InChi [?]:
InChI=1/C21H25N3O/c1-14-8-15(2)13-24(12-14)21-22-11-18-19(23-21)9-17(10-20(18)25)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,21,23,20,24,3,14,16,10,7,5,2,4,19,15,11,12,17,8,9,13,6,18/E:(1,2)(4,5)(6,7)(12,13)(14,15)/rA:25cCCCCCNCCNCCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s10;d11;d8s12;s12;s14;s15;s11s16;d17;s15;s19;d20;s21;d22;d19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.031 |
Area: | 547.883 |
Solvation: | -2.66605 |
Coulombic: | -27.6879 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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