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Chemical ID: 7529643
Chemical ID:
7529643
Name [?]:
methyl 2-[2-(8-carbamoyl-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)acetyl]aminobenzoate
SMILES [?]:
Cc1c2c(ncn(c2=O)CC(=O)Nc3ccccc3C(=O)OC)sc1C(=O)N
InChi [?]:
InChI=1/C18H16N4O5S/c1-9-13-16(28-14(9)15(19)24)20-8-22(17(13)25)7-12(23)21-11-6-4-3-5-10(11)18(26)27-2/h3-6,8H,7H2,1-2H3,(H2,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,10,6,2,19,14,11,3,25,26,4,8,20,28,5,13,7,12,27,9,21,22,24/rA:28nCCCCNCNCOCCONCCCCCCCOOCSCCON/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s4;d2s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N4O5S |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2329 |
Area: | 591.599 |
Solvation: | -4.55706 |
Coulombic: | -87.3352 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.09 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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