Chemical ID: 6149576

c1ccc(cc1)CCCn2c3c(c(=S)nc2c4ccccc4)CCCC3
Chemical ID:
6149576
Name [?]:
2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
SMILES [?]:
c1ccc(cc1)CCCn2c3c(c(=S)nc2c4ccccc4)CCCC3
InChi [?]:
InChI=1/C23H24N2S/c26-23-20-15-7-8-16-21(20)25(17-9-12-18-10-3-1-4-11-18)22(24-23)19-13-5-2-6-14-19/h1-6,10-11,13-14H,7-9,12,15-17H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,24,25,8,3,5,7,18,22,23,26,9,4,17,12,11,16,13,15,10,14/E:(3,4)(5,6)(10,11)(13,14)/rA:26nCCCCCCCCCNCCCSNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s13;s10d15;s16;s17;d18;s19;d20;d17s21;s12;s23;s24;s11s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4964
Area:563.402
Solvation:-1.58869
Coulombic:-16.8083
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.516
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.47
LogP (Chemaxon):6.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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