Chemical ID: 5607317

C1CCC(CC1)CCC(=O)OCC(=O)Nc2c(c3c(s2)CCC3)C(=O)N
Chemical ID:
5607317
Name [?]:
(8-carbamoyl-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)carbamoylmethyl 3-cyclohexylpropanoate
SMILES [?]:
C1CCC(CC1)CCC(=O)OCC(=O)Nc2c(c3c(s2)CCC3)C(=O)N
InChi [?]:
InChI=1/C19H26N2O4S/c20-18(24)17-13-7-4-8-14(13)26-19(17)21-15(22)11-25-16(23)10-9-12-5-2-1-3-6-12/h12H,1-11H2,(H2,20,24)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,3,5,23,21,7,8,12,4,18,19,13,9,17,24,16,26,15,14,10,25,11,20/E:(2,3)(5,6)/rA:26nCCCCCCCCCOOCCONCCCCSCCCCON/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s18s22;s17;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0174
Area:615.315
Solvation:-4.36543
Coulombic:-64.2283
Bond Count [?]
All:28
Single:23
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:378.487
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.71
LogP (Chemaxon):2.7

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