Chemical ID: 5873414

CC(C)CN(C(C)c1nc2cc(ccc2c(=O)n1C)Cl)C(=O)COc3ccccc3
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

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Descriptor Annotations

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