Chemical ID: 3855568

Cc1ccccc1C2=NCC(=O)N(c3c2c(c(s3)C)C)CC(=O)N4CCCCC4
Chemical ID:
3855568
Name [?]:
8,9-dimethyl-6-(o-tolyl)-2-(1-piperidylcarbonylmethyl)-10-thia-2,5-diazabicyclo[5.3.0]deca-5,8,11-trien-3-one
SMILES [?]:
Cc1ccccc1C2=NCC(=O)N(c3c2c(c(s3)C)C)CC(=O)N4CCCCC4
InChi [?]:
InChI=1/C23H27N3O2S/c1-15-9-5-6-10-18(15)22-21-16(2)17(3)29-23(21)26(19(27)13-24-22)14-20(28)25-11-7-4-8-12-25/h5-6,9-10H,4,7-8,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,27,4,5,26,28,3,6,25,29,10,21,2,16,17,7,11,22,15,8,14,9,24,13,12,23,18/E:(7,8)(11,12)/rA:29nCCCCCCCCNCCONCCCCSCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s16;s13;s21;d22;s22;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2028
Area:592.661
Solvation:-3.61369
Coulombic:-39.5807
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.546
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.91

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