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Chemical ID: 5876439

CCCCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3OC)C(=O)COc4ccccc4

Chemical ID:

5876439

Name [?]:

N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-pentyl-2-phenoxy-acetamide

SMILES [?]:

CCCCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3OC)C(=O)COc4ccccc4

InChi [?]:

InChI=1/C30H33N3O4/c1-4-5-13-20-32(28(34)21-37-23-14-7-6-8-15-23)22(2)29-31-25-17-10-9-16-24(25)30(35)33(29)26-18-11-12-19-27(26)36-3/h6-12,14-19,22H,4-5,13,20-21H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,27,2,3,35,34,36,14,13,22,23,4,33,37,15,12,21,24,5,30,7,32,16,11,20,25,28,9,17,10,6,19,29,18,26,31/E:(7,8)(14,15)/rA:37cCCCCCNCCCNCCCCCCCONCCCCCCOCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s6;d28;s28;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₃N₃O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6663
Area:	709.06
Solvation:	-6.06019
Coulombic:	-56.9218

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	499.601
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.71
LogP (Chemaxon):	5.14

Name Annotations

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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