Chemical ID: 6285102

CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccc(cc4)C(C)(C)C
Chemical ID:
6285102
Name [?]:
None
SMILES [?]:
CCn1c2ccc3ccccc3c2sc1=NC(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C24H24N2OS/c1-5-26-20-15-12-16-8-6-7-9-19(16)21(20)28-23(26)25-22(27)17-10-13-18(14-11-17)24(2,3)4/h6-15H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,2,9,10,8,11,20,24,6,21,23,5,7,19,22,12,4,13,17,15,25,16,3,18,14/E:(2,3,4)(10,11)(13,14)/rA:28nCCNCCCCCCCCCCSCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;s3s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0811
Area:586.946
Solvation:-1.59254
Coulombic:-28.3199
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:388.526
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.35
LogP (Chemaxon):7.59

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