Chemical ID: 5878484

CCC(c1nc2ccccc2c(=O)n1c3ccccc3OC)N(CCC(C)C)C(=O)CCc4ccccc4
Chemical ID:
5878484
Name [?]:
N-isopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-3-phenyl-propanamide
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1c3ccccc3OC)N(CCC(C)C)C(=O)CCc4ccccc4
InChi [?]:
InChI=1/C32H37N3O3/c1-5-27(34(22-21-23(2)3)30(36)20-19-24-13-7-6-8-14-24)31-33-26-16-10-9-15-25(26)32(37)35(31)28-17-11-12-18-29(28)38-4/h6-18,23,27H,5,19-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,22,2,36,35,37,9,8,17,18,34,38,10,7,16,19,32,31,25,24,26,33,11,6,3,15,20,29,4,12,5,23,14,30,13,21/E:(2,3)(7,8)(13,14)/rA:38cCCCCNCCCCCCCONCCCCCCOCNCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s3;s23;s24;s25;s26;s26;s23;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H37N3O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.7143
Area:720.418
Solvation:-4.29617
Coulombic:-49.9192
Bond Count [?]
All:41
Single:29
Double:12
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:511.655
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.31
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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