Chemical ID: 7079141

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)C)c5cccc(c5)OCCC(C)C
Chemical ID:
7079141
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nnc(s4)C)c5cccc(c5)OCCC(C)C
InChi [?]:
InChI=1/C27H27N3O4S/c1-14(2)9-10-33-19-8-6-7-18(13-19)23-22-24(31)20-11-15(3)16(4)12-21(20)34-25(22)26(32)30(23)27-29-28-17(5)35-27/h6-8,11-14,23H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:34,35,1,8,23,26,25,27,32,31,3,6,29,33,2,7,21,24,28,4,5,11,14,12,10,16,18,20,19,15,13,17,30,9,22/E:(1,2)/rA:35cCCCCCCCCOCCCOCNCOCNNCSCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s14;s24;d25;s26;d27;d24s28;s28;s30;s31;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27N3O4S
All Atoms:62
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.5203
Area:727.18
Solvation:-4.65914
Coulombic:-46.7926
Bond Count [?]
All:39
Single:28
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:489.587
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.14
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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