Chemical ID: 3898018

Cc1c(sc2c1c(nc(n2)C3CC3)SCC(=O)N(C(C)C)C(C)C)C
Chemical ID:
3898018
Name [?]:
2-[(3-cyclopropyl-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]-N,N-diisopropyl-acetamide
SMILES [?]:
Cc1c(sc2c1c(nc(n2)C3CC3)SCC(=O)N(C(C)C)C(C)C)C
InChi [?]:
InChI=1/C19H27N3OS2/c1-10(2)22(11(3)4)15(23)9-24-18-16-12(5)13(6)25-19(16)21-17(20-18)14-7-8-14/h10-11,14H,7-9H2,1-6H3
InChi Info:
AuxInfo=1/0/N:20,21,23,24,1,25,12,13,15,19,22,2,3,11,16,6,9,7,5,8,10,18,17,14,4/E:(1,2,3,4)(7,8)(10,11)/rA:25nCCCSCCCNCNCCCSCCONCCCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s9;s11;s11s12;s7;s14;s15;d16;s16;s18;s19;s19;s18;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N3OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.9136
Area:597.182
Solvation:-2.01591
Coulombic:-28.4336
Bond Count [?]
All:27
Single:22
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.569
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):5.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue