Chemical ID: 7010725

c1cc(cc(c1)Br)NC(=O)C2CC3CCCC(C2)C34SCCS4
Chemical ID:
7010725
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)C2CC3CCCC(C2)C34SCCS4
InChi [?]:
InChI=1/C18H22BrNOS2/c19-15-5-2-6-16(11-15)20-17(21)12-9-13-3-1-4-14(10-12)18(13)22-7-8-23-18/h2,5-6,11-14H,1,3-4,7-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:15,1,14,16,6,2,21,22,12,18,4,11,13,17,5,3,9,19,7,8,10,20,23/E:(3,4)(7,8)(9,10)(13,14)(22,23)/rA:23cCCCCCCBrNCOCCCCCCCCCSCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s16;s11s17;s13s17;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrNOS2
All Atoms:45
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:11.1379
Area:527.316
Solvation:-2.04502
Coulombic:-24.0848
Bond Count [?]
All:26
Single:22
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:412.409
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.04
LogP (Chemaxon):5.29

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