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Chemical ID: 5876762

CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3CC)C(=O)c4ccc(cc4)C(C)(C)C

Chemical ID:

5876762

Name [?]:

N-[1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-propyl-4-tert-butyl-benzamide

SMILES [?]:

CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3CC)C(=O)c4ccc(cc4)C(C)(C)C

InChi [?]:

InChI=1/C32H37N3O2/c1-7-21-34(30(36)24-17-19-25(20-18-24)32(4,5)6)22(3)29-33-27-15-11-10-14-26(27)31(37)35(29)28-16-12-9-13-23(28)8-2/h9-20,22H,7-8,21H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,25,6,35,36,37,2,24,21,12,11,20,22,13,10,19,29,33,30,32,3,5,23,28,31,14,9,18,7,26,15,34,8,4,17,27,16/E:(4,5,6)(17,18)(19,20)/rA:37cCCCNCCCNCCCCCCCONCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s4;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₇N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	15.1613
Area:	709.474
Solvation:	-2.5756
Coulombic:	-45.1399

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	495.655
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.49
LogP (Chemaxon):	7.32

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