Chemical ID: 6523174

c1ccc(cc1)c2nc(=S)c3c(n2CCC(c4ccccc4)c5ccccc5)CCCC3
Chemical ID:
6523174
Name [?]:
1-(3,3-diphenylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILES [?]:
c1ccc(cc1)c2nc(=S)c3c(n2CCC(c4ccccc4)c5ccccc5)CCCC3
InChi [?]:
InChI=1/C29H28N2S/c32-29-26-18-10-11-19-27(26)31(28(30-29)24-16-8-3-9-17-24)21-20-25(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-17,25H,10-11,18-21H2
InChi Info:
AuxInfo=1/0/N:20,26,1,19,21,25,27,2,6,31,30,18,22,24,28,3,5,32,29,15,14,17,23,4,16,11,12,7,9,8,13,10/E:(1,2)(4,5,6,7)(8,9)(12,13,14,15)(16,17)(22,23)/rA:32nCCCCCCCNCSCCNCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;d11;s7s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s16;s23;d24;s25;d26;d23s27;s12;s29;s30;s11s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H28N2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.1566
Area:645.176
Solvation:-1.97278
Coulombic:-18.6417
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:436.612
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.96
LogP (Chemaxon):8.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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