Chemical ID: 4568007

Cc1cc2c(c(c1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)c3c(c(=O)o2)CCC3
Chemical ID:
4568007
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)c3c(c(=O)o2)CCC3
InChi [?]:
InChI=1/C23H29NO6S/c1-13-11-17-19(14-7-6-8-15(14)20(25)28-17)18(12-13)29-21(26)16(9-10-31-5)24-22(27)30-23(2,3)4/h11-12,16H,6-10H2,1-5H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,15,30,31,29,12,13,3,7,2,24,25,11,4,6,5,26,9,17,20,16,27,10,18,28,8,19,14/E:(2,3,4)/rA:31cCCCCCCCOCOCCCSCNCOOCCCCCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11;s16;d17;s17;s19;s20;s20;s20;s5;d24;s25;d26;s4s26;s25;s29;s24s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO6S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.4436
Area:663.223
Solvation:-3.13699
Coulombic:-73.3142
Bond Count [?]
All:33
Single:26
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.546
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.65
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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