Chemical ID: 6898262

Cc1ccc(c(c1)C)NC(=O)C(C)n2cnc3c(c2=O)c(c(s3)C(=O)OCCOC)C
Chemical ID:
6898262
Name [?]:
2-methoxyethyl 4-[1-[(2,4-dimethylphenyl)carbamoyl]ethyl]-7-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-triene-8-carboxylate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C(C)n2cnc3c(c2=O)c(c(s3)C(=O)OCCOC)C
InChi [?]:
InChI=1/C22H25N3O5S/c1-12-6-7-16(13(2)10-12)24-19(26)15(4)25-11-23-20-17(21(25)27)14(3)18(31-20)22(28)30-9-8-29-5/h6-7,10-11,15H,8-9H2,1-5H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,31,13,30,3,4,28,27,7,15,2,6,21,12,5,18,22,10,17,19,24,16,9,14,11,20,25,29,26,23/rA:31cCCCCCCCCNCOCCNCNCCCOCCSCOOCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s12;s14;d15;s16;d17;s14s18;d19;s18;d21;s17s22;s22;d24;s24;s26;s27;s28;s29;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O5S
All Atoms:56
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.3592
Area:680.088
Solvation:-5.64296
Coulombic:-69.3833
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.517
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.59
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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