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Chemical ID: 7724104
Chemical ID:
7724104
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)CC(=O)OC)C
InChi [?]:
InChI=1/C22H18N2O5S/c1-12-8-13(2)19-16(9-12)24(11-18(25)28-3)22(30-19)23-20(26)15-10-14-6-4-5-7-17(14)29-21(15)27/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,17,18,16,19,3,7,14,25,2,4,15,13,6,20,26,5,11,22,9,10,8,27,12,23,28,21,24/rA:30nCCCCCCCNCNCOCCCCCCCCOCOSCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s5s9;s8;s25;d26;s26;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O5S |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6673 |
Area: | 626.66 |
Solvation: | -4.99924 |
Coulombic: | -60.4628 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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