Chemical ID: 4631693

Cc1ccc(cc1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3c4ccccc4Sc5c3cccc5
Chemical ID:
4631693
Name [?]:
3-(3-phenothiazin-10-ylcarbonylpropyl)-5-(p-tolylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3c4ccccc4Sc5c3cccc5
InChi [?]:
InChI=1/C27H22N2O2S3/c1-18-12-14-19(15-13-18)17-24-26(31)28(27(32)34-24)16-6-11-25(30)29-20-7-2-4-9-22(20)33-23-10-5-3-8-21(23)29/h2-5,7-10,12-15,17H,6,11,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,32,25,33,17,23,31,26,34,18,3,7,4,6,16,8,2,5,22,30,27,29,9,19,10,13,12,21,20,11,14,28,15/E:(2,3)(4,5)(7,8)(9,10)(12,13)(14,15)(20,21)(22,23)/rA:34nCCCCCCCCCCONCSSCCCCONCCCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s21s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22N2O2S3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.928
Area:715.57
Solvation:-2.9612
Coulombic:-37.6419
Bond Count [?]
All:38
Single:25
Double:13
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:502.674
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.4
LogP (Chemaxon):6.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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