Chemical ID: 6795006

Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3nc4ccc(cc4s3)OC)C
Chemical ID:
6795006
Name [?]:
2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-N-(6-methoxybenzothiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3nc4ccc(cc4s3)OC)C
InChi [?]:
InChI=1/C18H16N4O3S2/c1-9-10(2)26-16-15(9)17(24)22(8-19-16)7-14(23)21-18-20-12-5-4-11(25-3)6-13(12)27-18/h4-6,8H,7H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,27,26,20,19,22,12,10,2,3,21,18,23,13,6,5,7,16,11,17,15,9,14,8,25,4,24/rA:27nCCCSCCCONCNCCONCNCCCCCCSOCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O3S2
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.5432
Area:595.438
Solvation:-5.34273
Coulombic:-53.4931
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.477
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.75
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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