Chemical ID: 5873380

CCn1c(=O)c2ccccc2nc1C(C)N(CC(C)C)C(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5873380
Name [?]:
3,4-dichloro-N-[1-(3-ethyl-4-oxo-quinazolin-2-yl)ethyl]-N-isobutyl-benzamide
SMILES [?]:
CCn1c(=O)c2ccccc2nc1C(C)N(CC(C)C)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C23H25Cl2N3O2/c1-5-27-21(26-20-9-7-6-8-17(20)23(27)30)15(4)28(13-14(2)3)22(29)16-10-11-18(24)19(25)12-16/h6-12,14-15H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,15,2,8,9,7,10,24,25,28,17,18,14,23,6,26,27,11,13,21,4,30,29,12,3,16,22,5/E:(2,3)/rA:30cCCNCOCCCCCCNCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s3d12;s13;s14;s14;s16;s17;s18;s18;s16;d21;s21;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25Cl2N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.2572
Area:626.053
Solvation:-2.3941
Coulombic:-43.4781
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:446.369
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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