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Chemical ID: 5876207

CCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccccc4Cl

Chemical ID:

5876207

Name [?]:

2-chloro-N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-N-propyl-benzamide

SMILES [?]:

CCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccccc4Cl

InChi [?]:

InChI=1/C27H25Cl2N3O2/c1-3-16-31(26(33)20-12-5-7-14-22(20)29)24(4-2)25-30-23-15-8-6-13-21(23)27(34)32(25)19-11-9-10-18(28)17-19/h5-15,17,24H,3-4,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,2,6,30,13,31,12,21,22,20,29,14,32,11,3,24,23,19,28,15,33,10,5,8,26,16,25,34,9,4,18,27,17/rA:34cCCCNCCCCNCCCCCCCONCCCCCCClCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅Cl₂N₃O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5616
Area:	653.808
Solvation:	-2.78359
Coulombic:	-44.3467

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	494.412
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.58
LogP (Chemaxon):	6.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value