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Chemical ID: 5873414
Chemical ID:
5873414
Name [?]:
N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-N-isobutyl-2-phenoxy-acetamide
SMILES [?]:
CC(C)CN(C(C)c1nc2cc(ccc2c(=O)n1C)Cl)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C23H26ClN3O3/c1-15(2)13-27(21(28)14-30-18-8-6-5-7-9-18)16(3)22-25-20-12-17(24)10-11-19(20)23(29)26(22)4/h5-12,15-16H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,7,19,28,27,29,26,30,13,14,11,4,23,2,6,12,25,15,10,21,8,16,20,9,18,5,22,17,24/E:(1,2)(6,7)(8,9)/rA:30cCCCCNCCCNCCCCCCCONCClCOCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s12;s5;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26ClN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3462 |
Area: | 623.18 |
Solvation: | -4.2333 |
Coulombic: | -48.8463 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 427.924 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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