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Chemical ID: 6285102
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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