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Chemical ID: 7141275
Chemical ID:
7141275
Name [?]:
2-(4-bromophenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)NC(=Nc4ccc(cc4)Br)S3
InChi [?]:
InChI=1/C20H13BrN2OS/c21-15-8-10-16(11-9-15)22-20-23-19(24)18(25-20)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,20,22,19,23,11,5,10,21,18,4,12,13,16,24,17,15,14,25/E:(8,9)(10,11)/rA:25nCCCCCCCCCCCCCONCNCCCCCCBrS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13BrN2OS |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5758 |
Area: | 549.192 |
Solvation: | -2.154 |
Coulombic: | -31.0102 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 409.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 6.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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