Chemical ID: 6305768

COc1ccccc1C(=O)Nc2c(c3c(s2)CCCCCCCCCC3)C(=O)N
Chemical ID:
6305768
Name [?]:
14-(2-methoxybenzoyl)amino-13-thiabicyclo[10.3.0]pentadeca-14,16-diene-15-carboxamide
SMILES [?]:
COc1ccccc1C(=O)Nc2c(c3c(s2)CCCCCCCCCC3)C(=O)N
InChi [?]:
InChI=1/C23H30N2O3S/c1-28-18-14-11-10-12-16(18)22(27)25-23-20(21(24)26)17-13-8-6-4-2-3-5-7-9-15-19(17)29-23/h10-12,14H,2-9,13,15H2,1H3,(H2,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,19,25,18,6,5,7,26,4,17,8,14,3,15,13,27,9,12,29,11,28,10,2,16/rA:29nCOCCCCCCCONCCCCSCCCCCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s14s25;s13;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.4948
Area:613.534
Solvation:-4.84356
Coulombic:-55.4037
Bond Count [?]
All:31
Single:24
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.562
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.36
LogP (Chemaxon):4.95

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Descriptor Annotations

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