Chemical ID: 5732255

CCN(CC)CCCNC=C1C(=O)N=C(N(C1=O)c2ccc(cc2)C)S
Chemical ID:
5732255
Name [?]:
5-(3-diethylaminopropylaminomethylene)-1-(p-tolyl)-2-sulfanyl-pyrimidine-4,6-dione
SMILES [?]:
CCN(CC)CCCNC=C1C(=O)N=C(N(C1=O)c2ccc(cc2)C)S
InChi [?]:
InChI=1/C19H26N4O2S/c1-4-22(5-2)12-6-11-20-13-16-17(24)21-19(26)23(18(16)25)15-9-7-14(3)8-10-15/h7-10,13,20H,4-6,11-12H2,1-3H3,(H,21,24,26)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,7,21,23,20,24,8,6,10,22,19,11,12,17,15,9,14,3,16,13,18,26/E:(1,2)(4,5)(7,8)(9,10)/rA:26nCCNCCCCCNCCCONCNCOCCCCCCCS/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;w10;s11;d12;s12;d14;s15;s11s16;d17;s16;s19;d20;s21;d22;d19s23;s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5737
Area:620.003
Solvation:-2.92639
Coulombic:-51.073
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:374.501
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):2.5

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Descriptor Annotations

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