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Chemical ID: 7273112
Chemical ID:
7273112
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C20H17N3O4/c24-18(21-14-5-2-1-3-6-14)12-27-20(26)13-8-9-15-16(11-13)22-17-7-4-10-23(17)19(15)25/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,3,5,27,15,16,25,19,10,14,4,17,18,21,8,23,12,7,20,22,9,24,13,11/E:(2,3)(5,6)/rA:27nCCCCCCNCOCOCOCCCCCCNCNCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s21;s17s22;d23;s22;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O4 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1774 |
Area: | 580.714 |
Solvation: | -4.34046 |
Coulombic: | -61.6986 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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