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Chemical ID: 4899792
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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