Chemical ID: 6459578

CC(C)(C)C1CCc2c(sc3c2c(=O)[nH]c(n3)c4cc(c(c(c4)Cl)OCCOc5ccc(cc5)C6CCCCC6)OC)C1
Chemical ID:
6459578
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c(=O)[nH]c(n3)c4cc(c(c(c4)Cl)OCCOc5ccc(cc5)C6CCCCC6)OC)C1
InChi [?]:
InChI=1/C35H41ClN2O4S/c1-35(2,3)24-12-15-26-29(20-24)43-34-30(26)33(39)37-32(38-34)23-18-27(36)31(28(19-23)40-4)42-17-16-41-25-13-10-22(11-14-25)21-8-6-5-7-9-21/h10-11,13-14,18-19,21,24H,5-9,12,15-17,20H2,1-4H3,(H,37,38,39)
InChi Info:
AuxInfo=1/1/N:1,3,4,42,38,37,39,36,40,31,33,6,30,34,7,27,26,23,19,43,35,32,18,5,29,8,22,20,9,12,21,16,13,11,2,24,15,17,14,41,28,25,10/E:(1,2,3)(6,7)(8,9)(10,11)(13,14)/rA:43cCCCCCCCCCSCCCONCNCCCCCCClOCCOCCCCCCCCCCCCOCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s16;s18;d19;s20;d21;d18s22;s22;s21;s25;s26;s27;s28;s29;d30;s31;d32;d29s33;s32;s35;s36;s37;s38;s35s39;s20;s41;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H41ClN2O4S
All Atoms:43
Heavy Atoms:43
Chiral Atoms:1
ZAP Information [?]
Total:15.7499
Area:891.92
Solvation:-6.54814
Coulombic:-52.0618
Bond Count [?]
All:48
Single:38
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:621.23
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.85
LogP (Chemaxon):8.83

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