Chemical ID: 4622091

CC1(Cc2ccccc2-c3c1c(=O)[nH]c(n3)SCC=C)C4CCCCC4
Chemical ID:
4622091
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3c1c(=O)[nH]c(n3)SCC=C)C4CCCCC4
InChi [?]:
InChI=1/C22H26N2OS/c1-3-13-26-21-23-19-17-12-8-7-9-15(17)14-22(2,18(19)20(25)24-21)16-10-5-4-6-11-16/h3,7-9,12,16H,1,4-6,10-11,13-14H2,2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:20,1,19,24,23,25,6,7,5,22,26,8,18,3,4,21,9,11,10,12,15,2,16,14,13,17/E:(5,6)(10,11)/rA:26cCCCCCCCCCCCCONCNSCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2d10;s11;d12;s12;s14;s10d15;s15;s17;s18;d19;s2;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.4199
Area:552.707
Solvation:-1.39779
Coulombic:-32.1747
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.521
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.79
LogP (Chemaxon):6.13

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Descriptor Annotations

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