Chemical ID: 7255908

Cc1c2cc(sc2n(n1)Cc3ccccc3)C(=O)Nc4[nH]nnn4
Chemical ID:
7255908
Name [?]:
6-benzyl-8-methyl-N-(1H-tetrazol-5-yl)-4-thia-6,7-diazabicyclo[3.3.0]octa-2,7,9-triene-3-carboxamide
SMILES [?]:
Cc1c2cc(sc2n(n1)Cc3ccccc3)C(=O)Nc4[nH]nnn4
InChi [?]:
InChI=1/C15H13N7OS/c1-9-11-7-12(13(23)16-15-17-20-21-18-15)24-14(11)22(19-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,16,17,18,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,4,10,2,11,3,5,17,7,20,19,21,24,9,22,23,8,18,6/E:(3,4)(5,6)(17,18)(20,21)/rA:24nCCCCCSCNNCCCCCCCCONCNNNN/rB:s1;s2;s3;d4;s5;d3s6;s7;d2s8;s8;s10;s11;d12;s13;d14;d11s15;s5;d17;s17;s19;s20;s21;d22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N7OS
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6532
Area:537.691
Solvation:-2.78909
Coulombic:-37.5196
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.376
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.39
LogP (Chemaxon):2.32

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