Chemical ID: 4813906

CN(C)c1ccc(cc1)C=C2C(=O)N(C(=NCC=C)S2)CC=C
Chemical ID:
4813906
Name [?]:
3-allyl-2-allylimino-5-[(4-dimethylaminophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=NCC=C)S2)CC=C
InChi [?]:
InChI=1/C18H21N3OS/c1-5-11-19-18-21(12-6-2)17(22)16(23-18)13-14-7-9-15(10-8-14)20(3)4/h5-10,13H,1-2,11-12H2,3-4H3
InChi Info:
AuxInfo=1/0/N:19,23,1,3,18,22,6,8,5,9,17,21,10,7,4,11,12,15,16,2,14,13,20/E:(3,4)(7,8)(9,10)/rA:23nCNCCCCCCCCCCONCNCCCSCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s11s15;s14;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9631
Area:544.126
Solvation:-2.64003
Coulombic:-33.8616
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:327.445
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):4.24

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Descriptor Annotations

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