Chemical ID: 5403411

Cc1c(sc2c1c(=O)[nH]c(n2)CN3CC(OC(C3)C)C)C
Chemical ID:
5403411
Name [?]:
3-[(2,6-dimethylmorpholin-4-yl)methyl]-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)[nH]c(n2)CN3CC(OC(C3)C)C)C
InChi [?]:
InChI=1/C15H21N3O2S/c1-8-5-18(6-9(2)20-8)7-12-16-14(19)13-10(3)11(4)21-15(13)17-12/h8-9H,5-7H2,1-4H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,21,18,14,12,17,15,2,3,10,6,7,5,9,11,13,8,16,4/E:(1,2)(5,6)(8,9)/rA:21cCCCSCCCONCNCNCCOCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s10;s12;s13;s14;s15;s16;s13s17;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.88268
Area:484.248
Solvation:-4.22353
Coulombic:-37.6153
Bond Count [?]
All:23
Single:19
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:307.412
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.32
LogP (Chemaxon):1.81

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