Chemical ID: 7279775

CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)Nc3nc4c(s3)CCCC4
Chemical ID:
7279775
Name [?]:
1-ethyl-2,3-dioxo-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)-4H-quinoxaline-6-carboxamide
SMILES [?]:
CCn1c2ccc(cc2[nH]c(=O)c1=O)C(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C18H18N4O3S/c1-2-22-13-8-7-10(9-12(13)19-16(24)17(22)25)15(23)21-18-20-11-5-3-4-6-14(11)26-18/h7-9H,2-6H2,1H3,(H,19,24)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,6,5,8,7,20,9,4,21,15,11,13,18,10,19,17,3,16,12,14,22/rA:26nCCNCCCCCCNCOCOCONCNCCSCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s3s11;d13;s7;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O3S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0361
Area:563.141
Solvation:-4.04238
Coulombic:-66.2515
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:370.427
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.68
LogP (Chemaxon):2.49

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Descriptor Annotations

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