Chemical ID: 7529643

Cc1c2c(ncn(c2=O)CC(=O)Nc3ccccc3C(=O)OC)sc1C(=O)N
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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