Chemical ID: 5291107

CC(C)Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)C(=O)OC
Chemical ID:
5291107
Name [?]:
None
SMILES [?]:
CC(C)Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C25H21N3O5S/c1-13(2)12-18-26-27-25(34-18)28-20(14-8-10-15(11-9-14)24(31)32-3)19-21(29)16-6-4-5-7-17(16)33-22(19)23(28)30/h4-11,13,20H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,34,17,18,16,19,26,30,27,29,4,2,25,28,15,20,5,12,11,13,22,23,31,8,6,7,10,14,24,32,33,21,9/E:(1,2)(8,9)(10,11)/rA:34cCCCCCNNCSNCCCOCCCCCCOCCOCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s10s22;d23;s11;s25;d26;s27;d28;d25s29;s28;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21N3O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.0207
Area:691.911
Solvation:-4.27703
Coulombic:-59.9003
Bond Count [?]
All:38
Single:26
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:475.517
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.76
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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