Chemical ID: 4387262

CCCN1CCc2c(sc3c2c(=O)n(c(n3)SCCC(C)C)c4ccc(cc4)C)C1
Chemical ID:
4387262
Name [?]:
None
SMILES [?]:
CCCN1CCc2c(sc3c2c(=O)n(c(n3)SCCC(C)C)c4ccc(cc4)C)C1
InChi [?]:
InChI=1/C24H31N3OS2/c1-5-12-26-13-10-19-20(15-26)30-22-21(19)23(28)27(18-8-6-17(4)7-9-18)24(25-22)29-14-11-16(2)3/h6-9,16H,5,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,29,2,25,27,24,28,6,19,3,5,18,30,20,26,23,7,8,11,10,12,15,16,4,14,13,17,9/E:(2,3)(6,7)(8,9)/rA:30cCCCNCCCCSCCCONCNSCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;s15;s17;s18;s19;s20;s20;s14;s23;d24;s25;d26;d23s27;s26;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3OS2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:15.0611
Area:679.283
Solvation:-1.92102
Coulombic:-31.0146
Bond Count [?]
All:33
Single:26
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.655
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):6.26

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Experimental Annotations

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Descriptor Annotations

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