Chemical ID: 4387604

CCCCn1c2c(c(=S)nc1c3ccccc3)CCCC2
Chemical ID:
4387604
Name [?]:
1-butyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILES [?]:
CCCCn1c2c(c(=S)nc1c3ccccc3)CCCC2
InChi [?]:
InChI=1/C18H22N2S/c1-2-3-13-20-16-12-8-7-11-15(16)18(21)19-17(20)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,15,14,16,19,20,13,17,18,21,4,12,7,6,11,8,10,5,9/E:(5,6)(9,10)/rA:21nCCCCNCCCSNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s5d10;s11;s12;d13;s14;d15;d12s16;s7;s18;s19;s6s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.96
Area:484.075
Solvation:-1.1419
Coulombic:-15.6013
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.447
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.6
LogP (Chemaxon):5.32

Name Annotations

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Descriptor Annotations

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