Chemical ID: 5875123

CCCCCc1ccc(cc1)C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2c4ccccc4C
Chemical ID:
5875123
Name [?]:
N-[1-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]ethyl]-4-pentyl-N-propyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2c4ccccc4C
InChi [?]:
InChI=1/C32H37N3O2/c1-5-7-8-14-25-18-20-26(21-19-25)31(36)34(22-6-2)24(4)30-33-28-16-11-10-15-27(28)32(37)35(30)29-17-12-9-13-23(29)3/h9-13,15-21,24H,5-8,14,22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,37,19,2,16,3,4,34,25,24,33,35,5,26,23,32,7,11,8,10,15,36,18,6,9,27,22,31,20,12,28,21,14,30,13,29/E:(18,19)(20,21)/rA:37cCCCCCCCCCCCCONCCCCCCNCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;s18;d20;s21;s22;d23;s24;d25;d22s26;s27;d28;s20s28;s30;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H37N3O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.8679
Area:706.553
Solvation:-2.7959
Coulombic:-44.8099
Bond Count [?]
All:40
Single:28
Double:12
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:495.655
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.81
LogP (Chemaxon):7.35

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue