Chemical ID: 5278936

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccc(cc4)OC)c5ccc(cc5)SC
Chemical ID:
5278936
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccc(cc4)OC)c5ccc(cc5)SC
InChi [?]:
InChI=1/C29H27NO4S/c1-17-15-23-24(16-18(17)2)34-28-25(27(23)31)26(20-7-11-22(35-4)12-8-20)30(29(28)32)14-13-19-5-9-21(33-3)10-6-19/h5-12,15-16,26H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,27,35,21,25,29,33,22,24,30,32,19,18,3,6,2,7,20,28,23,31,4,5,11,14,12,10,16,15,13,17,26,9,34/E:(5,6)(7,8)(9,10)(11,12)/rA:35cCCCCCCCCOCCCOCNCOCCCCCCCCOCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s14;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27NO4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.047
Area:715.487
Solvation:-4.8402
Coulombic:-44.5365
Bond Count [?]
All:39
Single:27
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:485.595
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.82
LogP (Chemaxon):6.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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