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Chemical ID: 6149576
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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