Chemical ID: 4901402

CC1(Cc2c(c(nc3c2c4c(s3)c(nc(n4)SC)N5CCCCC5)N6CCOCC6)CO1)C
Chemical ID:
4901402
Name [?]:
None
SMILES [?]:
CC1(Cc2c(c(nc3c2c4c(s3)c(nc(n4)SC)N5CCCCC5)N6CCOCC6)CO1)C
InChi [?]:
InChI=1/C24H31N5O2S2/c1-24(2)13-15-16(14-31-24)20(29-9-11-30-12-10-29)26-22-17(15)18-19(33-22)21(27-23(25-18)32-3)28-7-5-4-6-8-28/h4-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,18,22,21,23,20,24,26,30,27,29,3,31,4,5,9,10,11,6,13,8,15,2,16,7,14,19,25,28,32,17,12/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:33nCCCCCCNCCCCSCNCNSCNCCCCCNCCOCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s8s11;d11;s13;d14;d10s15;s15;s17;s13;s19;s20;s21;s22;s19s23;s6;s25;s26;s27;s28;s25s29;s5;s2s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N5O2S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.0527
Area:652.826
Solvation:-4.26797
Coulombic:-48.2612
Bond Count [?]
All:38
Single:32
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:485.667
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):5.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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