Chemical ID: 4899792

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(=O)OC)c5nnc(s5)CC(C)C
Chemical ID:
4899792
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(=O)OC)c5nnc(s5)CC(C)C
InChi [?]:
InChI=1/C26H23N3O5S/c1-13(2)11-19-27-28-26(35-19)29-21(15-6-8-16(9-7-15)25(32)33-4)20-22(30)17-12-14(3)5-10-18(17)34-23(20)24(29)31/h5-10,12-13,21H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:34,35,1,26,3,18,22,19,21,4,32,7,33,2,17,20,6,5,30,10,16,8,11,13,23,27,29,28,15,9,14,24,25,12,31/E:(1,2)(6,7)(8,9)/rA:35cCCCCCCCCOCCOCONCCCCCCCCOOCCNNCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s15;d27;s28;d29;s27s30;s30;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23N3O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.5859
Area:714.072
Solvation:-4.26587
Coulombic:-59.6803
Bond Count [?]
All:39
Single:27
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.544
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.2
LogP (Chemaxon):3.91

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Descriptor Annotations

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