Chemical ID: 6285105

CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccccc4OC
Chemical ID:
6285105
Name [?]:
None
SMILES [?]:
CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccccc4OC
InChi [?]:
InChI=1/C21H18N2O2S/c1-3-23-17-13-12-14-8-4-5-9-15(14)19(17)26-21(23)22-20(24)16-10-6-7-11-18(16)25-2/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,9,10,21,22,8,11,20,23,6,5,7,12,19,4,24,13,17,15,16,3,18,25,14/rA:26nCCNCCCCCCCCCCSCNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;s3s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.96557
Area:533.64
Solvation:-3.37543
Coulombic:-33.1518
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:362.446
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.45
LogP (Chemaxon):5.71

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Descriptor Annotations

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